G797-0027 Screening compound: 1,4-dimethyl 2-[(4-{pyrrolo[1,2-a]quinoxalin-4-yl}piperazine-1-carbonyl)amino]benzene-1,4-dicarboxylate

G797-0027 Screening compound: 1,4-dimethyl 2-[(4-{pyrrolo[1,2-a]quinoxalin-4-yl}piperazine-1-carbonyl)amino]benzene-1,4-dicarboxylate
G797-0027 Screening compound: 1,4-dimethyl 2-[(4-{pyrrolo[1,2-a]quinoxalin-4-yl}piperazine-1-carbonyl)amino]benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G797-0027
1,4-dimethyl 2-[(4-{pyrrolo[1,2-a]quinoxalin-4-yl}piperazine-1-carbonyl)amino]benzene-1,4-dicarboxylate

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

G797-0027

Molecular Formula

C26H25N5O5 (C26 H25 N5 O5)

Compound Name

1,4-dimethyl 2-[(4-{pyrrolo[1,2-a]quinoxalin-4-yl}piperazine-1-carbonyl)amino]benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-[(4-{pyrrolo[12-a]quinoxalin-4-yl}piperazine-1-carbonyl)amino]benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(N(CC2)CCN2c2nc(cccc3)c3n3c2ccc3)=O)c1C(OC)=O)=O

InChI

InChI=1S/C26H25N5O5/c1-35-24(32)17-9-10-18(25(33)36-2)20(16-17)28-26(34)30-14-12-29(13-15-30)23-22-8-5-11-31(22)21-7-4-3-6-19(21)27-23/h3-11,16H,12-15H2,1-2H3,(H,28,34)

InChI Key

CELMOZFHRSJEGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27159867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.471

Distribution Coefficient, logD

4.455

Water Solubility, LogSw

-4.24

Polar Surface Area

78.085

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

10.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G797-0027 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G797-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G797-0027?
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What is the minimum amount of G797-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G797-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G797-0027
  • 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 G797-0027 available by request