G797-0401 Screening compound: 4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-N-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide

G797-0401 Screening compound: 4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-N-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide
G797-0401 Screening compound: 4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-N-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G797-0401
4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-N-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide

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

G797-0401

Molecular Formula

C24H23BrFN5O (C24 H23 BrFN5 O)

Compound Name

4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-N-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide

IUPAC name

4-{7-bromopyrrolo[12-a]quinoxalin-4-yl}-N-[(4-fluorophenyl)methyl]-14-diazepane-1-carboxamide

SMILES

O=C(NCc(cc1)ccc1F)N(CCC1)CCN1c1nc(cc(cc2)Br)c2n2c1ccc2

InChI

InChI=1S/C24H23BrFN5O/c25-18-6-9-21-20(15-18)28-23(22-3-1-12-31(21)22)29-10-2-11-30(14-13-29)24(32)27-16-17-4-7-19(26)8-5-17/h1,3-9,12,15H,2,10-11,13-14,16H2,(H,27,32)

InChI Key

OUJIEXQUGNUKCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.000

Distribution Coefficient, logD

4.753

Water Solubility, LogSw

-4.92

Polar Surface Area

38.088

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G797-0401 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 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:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 G797-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G797-0401?
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What is the minimum amount of G797-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G797-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G797-0401
  • 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 G797-0401 available by request