G797-0312 Screening compound: ethyl 3-phenyl-3-{[(4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepan-1-yl)carbonyl]amino}propanoate

G797-0312 Screening compound: ethyl 3-phenyl-3-{[(4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepan-1-yl)carbonyl]amino}propanoate
G797-0312 Screening compound: ethyl 3-phenyl-3-{[(4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepan-1-yl)carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G797-0312
ethyl 3-phenyl-3-{[(4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepan-1-yl)carbonyl]amino}propanoate

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

G797-0312

Molecular Formula

C28H31N5O3 (C28 H31 N5 O3)

Compound Name

ethyl 3-phenyl-3-{[(4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepan-1-yl)carbonyl]amino}propanoate

IUPAC name

ethyl 3-phenyl-3-[(4-{pyrrolo[12-a]quinoxalin-4-yl}-14-diazepane-1-carbonyl)amino]propanoate

SMILES

CCOC(CC(c1ccccc1)NC(N(CCC1)CCN1c1nc(cccc2)c2n2c1ccc2)=O)=O

InChI

InChI=1S/C28H31N5O3/c1-2-36-26(34)20-23(21-10-4-3-5-11-21)30-28(35)32-16-9-15-31(18-19-32)27-25-14-8-17-33(25)24-13-7-6-12-22(24)29-27/h3-8,10-14,17,23H,2,9,15-16,18-20H2,1H3,(H,30,35)

InChI Key

DYMLPYWOYWVMAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.177

Distribution Coefficient, logD

4.670

Water Solubility, LogSw

-4.90

Polar Surface Area

57.877

Acid Dissociation Constant (pKa)

14.42

Base Dissociation Constant (pKb)

12.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.14

G797-0312 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G797-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G797-0312?
Check Price and Availability of G797-0312, 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 G797-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G797-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G797-0312
  • 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 G797-0312 available by request