G545-1117 Screening compound: methyl 2-{[(5-{[(4-methylphenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl)carbamoyl]amino}acetate

G545-1117 Screening compound: methyl 2-{[(5-{[(4-methylphenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl)carbamoyl]amino}acetate
G545-1117 Screening compound: methyl 2-{[(5-{[(4-methylphenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl)carbamoyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G545-1117
methyl 2-{[(5-{[(4-methylphenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl)carbamoyl]amino}acetate

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

G545-1117

Molecular Formula

C23H28N4O4 (C23 H28 N4 O4)

Compound Name

methyl 2-{[(5-{[(4-methylphenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl)carbamoyl]amino}acetate

IUPAC name

methyl 2-{[(5-{[(4-methylphenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl)carbamoyl]amino}acetate

SMILES

Cc1ccc(CNC(c(cc2)cc(NC(NCC(OC)=O)=O)c2N2CCCC2)=O)cc1

InChI

InChI=1S/C23H28N4O4/c1-16-5-7-17(8-6-16)14-24-22(29)18-9-10-20(27-11-3-4-12-27)19(13-18)26-23(30)25-15-21(28)31-2/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,24,29)(H2,25,26,30)

InChI Key

OUBSEKCAJHJBRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15018960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.929

Distribution Coefficient, logD

2.929

Water Solubility, LogSw

-3.41

Polar Surface Area

81.947

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G545-1117 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G545-1117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G545-1117?
Check Price and Availability of G545-1117, 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 G545-1117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G545-1117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G545-1117
  • 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 G545-1117 available by request