G797-0386 Screening compound: 4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-N-(3-ethoxypropyl)-1,4-diazepane-1-carboxamide

G797-0386 Screening compound: 4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-N-(3-ethoxypropyl)-1,4-diazepane-1-carboxamide
G797-0386 Screening compound: 4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-N-(3-ethoxypropyl)-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G797-0386
4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-N-(3-ethoxypropyl)-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

G797-0386

Molecular Formula

C22H28BrN5O2 (C22 H28 BrN5 O2)

Compound Name

4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-N-(3-ethoxypropyl)-1,4-diazepane-1-carboxamide

IUPAC name

4-{7-bromopyrrolo[12-a]quinoxalin-4-yl}-N-(3-ethoxypropyl)-14-diazepane-1-carboxamide

SMILES

CCOCCCNC(N(CCC1)CCN1c1nc(cc(cc2)Br)c2n2c1ccc2)=O

InChI

InChI=1S/C22H28BrN5O2/c1-2-30-15-4-9-24-22(29)27-11-5-10-26(13-14-27)21-20-6-3-12-28(20)19-8-7-17(23)16-18(19)25-21/h3,6-8,12,16H,2,4-5,9-11,13-15H2,1H3,(H,24,29)

InChI Key

YLIUERQLFDMIBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.450

Distribution Coefficient, logD

4.203

Water Solubility, LogSw

-4.17

Polar Surface Area

46.179

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

G797-0386 in Drug Discovery

Included in Screening Libraries

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 G797-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G797-0386?
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What is the minimum amount of G797-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G797-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G797-0386
  • 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 G797-0386 available by request