G797-0378 Screening compound: ethyl 2-[(4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepane-1-carbonyl)amino]acetate

G797-0378 Screening compound: ethyl 2-[(4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepane-1-carbonyl)amino]acetate
G797-0378 Screening compound: ethyl 2-[(4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepane-1-carbonyl)amino]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G797-0378
ethyl 2-[(4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepane-1-carbonyl)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

G797-0378

Molecular Formula

C21H24BrN5O3 (C21 H24 BrN5 O3)

Compound Name

ethyl 2-[(4-{7-bromopyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepane-1-carbonyl)amino]acetate

IUPAC name

ethyl 2-[(4-{7-bromopyrrolo[12-a]quinoxalin-4-yl}-14-diazepane-1-carbonyl)amino]acetate

SMILES

CCOC(CNC(N(CCC1)CCN1c1nc(cc(cc2)Br)c2n2c1ccc2)=O)=O

InChI

InChI=1S/C21H24BrN5O3/c1-2-30-19(28)14-23-21(29)26-9-4-8-25(11-12-26)20-18-5-3-10-27(18)17-7-6-15(22)13-16(17)24-20/h3,5-7,10,13H,2,4,8-9,11-12,14H2,1H3,(H,23,29)

InChI Key

AVELONTVOBHEEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.792

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-3.74

Polar Surface Area

58.519

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G797-0378 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 G797-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G797-0378?
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What is the minimum amount of G797-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G797-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G797-0378
  • 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 G797-0378 available by request