G797-0404 Screening compound: methyl 3-[(4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepane-1-carbonyl)amino]benzoate

G797-0404 Screening compound: methyl 3-[(4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepane-1-carbonyl)amino]benzoate
G797-0404 Screening compound: methyl 3-[(4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepane-1-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G797-0404
methyl 3-[(4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepane-1-carbonyl)amino]benzoate

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

G797-0404

Molecular Formula

C25H24BrN5O3 (C25 H24 BrN5 O3)

Compound Name

methyl 3-[(4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepane-1-carbonyl)amino]benzoate

IUPAC name

methyl 3-[(4-{7-bromopyrrolo[12-a]quinoxalin-4-yl}-14-diazepane-1-carbonyl)amino]benzoate

SMILES

COC(c1cccc(NC(N(CCC2)CCN2c2nc(cc(cc3)Br)c3n3c2ccc3)=O)c1)=O

InChI

InChI=1S/C25H24BrN5O3/c1-34-24(32)17-5-2-6-19(15-17)27-25(33)30-11-4-10-29(13-14-30)23-22-7-3-12-31(22)21-9-8-18(26)16-20(21)28-23/h2-3,5-9,12,15-16H,4,10-11,13-14H2,1H3,(H,27,33)

InChI Key

JZXMKYCGSBPXIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.615

Distribution Coefficient, logD

5.532

Water Solubility, LogSw

-5.43

Polar Surface Area

57.940

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

G797-0404 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 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
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G797-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G797-0404?
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What is the minimum amount of G797-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G797-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G797-0404
  • 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 G797-0404 available by request