G545-0791 Screening compound: ethyl 2-{[(5-{[(4-methoxyphenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl)carbamoyl]amino}acetate

G545-0791 Screening compound: ethyl 2-{[(5-{[(4-methoxyphenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl)carbamoyl]amino}acetate
G545-0791 Screening compound: ethyl 2-{[(5-{[(4-methoxyphenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl)carbamoyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G545-0791
ethyl 2-{[(5-{[(4-methoxyphenyl)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

G545-0791

Molecular Formula

C24H30N4O5 (C24 H30 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CNC(Nc(cc(cc1)C(NCc(cc2)ccc2OC)=O)c1N1CCCC1)=O)=O

InChI

InChI=1S/C24H30N4O5/c1-3-33-22(29)16-26-24(31)27-20-14-18(8-11-21(20)28-12-4-5-13-28)23(30)25-15-17-6-9-19(32-2)10-7-17/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,25,30)(H2,26,27,31)

InChI Key

LZWKVFUQOLXEKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15018909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.012

Distribution Coefficient, logD

3.012

Water Solubility, LogSw

-3.46

Polar Surface Area

89.071

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G545-0791 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G545-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G545-0791?
Check Price and Availability of G545-0791, 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 G545-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G545-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G545-0791
  • 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 G545-0791 available by request