G545-0729 Screening compound: 3-{[(2-ethylphenyl)carbamoyl]amino}-N-{[4-(propan-2-yl)phenyl]methyl}-4-(pyrrolidin-1-yl)benzamide

G545-0729 Screening compound: 3-{[(2-ethylphenyl)carbamoyl]amino}-N-{[4-(propan-2-yl)phenyl]methyl}-4-(pyrrolidin-1-yl)benzamide
G545-0729 Screening compound: 3-{[(2-ethylphenyl)carbamoyl]amino}-N-{[4-(propan-2-yl)phenyl]methyl}-4-(pyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G545-0729
3-{[(2-ethylphenyl)carbamoyl]amino}-N-{[4-(propan-2-yl)phenyl]methyl}-4-(pyrrolidin-1-yl)benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G545-0729

Molecular Formula

C30H36N4O2 (C30 H36 N4 O2)

Compound Name

3-{[(2-ethylphenyl)carbamoyl]amino}-N-{[4-(propan-2-yl)phenyl]methyl}-4-(pyrrolidin-1-yl)benzamide

IUPAC name

3-{[(2-ethylphenyl)carbamoyl]amino}-N-{[4-(propan-2-yl)phenyl]methyl}-4-(pyrrolidin-1-yl)benzamide

SMILES

CCc(cccc1)c1NC(Nc(cc(cc1)C(NCc2ccc(C(C)C)cc2)=O)c1N1CCCC1)=O

InChI

InChI=1S/C30H36N4O2/c1-4-23-9-5-6-10-26(23)32-30(36)33-27-19-25(15-16-28(27)34-17-7-8-18-34)29(35)31-20-22-11-13-24(14-12-22)21(2)3/h5-6,9-16,19,21H,4,7-8,17-18,20H2,1-3H3,(H,31,35)(H2,32,33,36)

InChI Key

HKIJTCCOOGQNGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15018893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.830

Distribution Coefficient, logD

6.829

Water Solubility, LogSw

-5.62

Polar Surface Area

59.077

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G545-0729 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G545-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G545-0729?
Check Price and Availability of G545-0729, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G545-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G545-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G545-0729
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G545-0729 available by request