G531-0282 Screening compound: 1,4-dimethyl 2-({[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)carbamoyl}amino)benzene-1,4-dicarboxylate

G531-0282 Screening compound: 1,4-dimethyl 2-({[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)carbamoyl}amino)benzene-1,4-dicarboxylate
G531-0282 Screening compound: 1,4-dimethyl 2-({[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)carbamoyl}amino)benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0282
1,4-dimethyl 2-({[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)carbamoyl}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

G531-0282

Molecular Formula

C21H28N4O5 (C21 H28 N4 O5)

Compound Name

1,4-dimethyl 2-({[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)carbamoyl}amino)benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-({[2-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)carbamoyl}amino)benzene-14-dicarboxylate

SMILES

CCn1nc(C)c(CCN(C)C(Nc(cc(cc2)C(OC)=O)c2C(OC)=O)=O)c1C

InChI

InChI=1S/C21H28N4O5/c1-7-25-14(3)16(13(2)23-25)10-11-24(4)21(28)22-18-12-15(19(26)29-5)8-9-17(18)20(27)30-6/h8-9,12H,7,10-11H2,1-6H3,(H,22,28)

InChI Key

UBXZJKXCKOKWIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.652

Distribution Coefficient, logD

2.627

Water Solubility, LogSw

-3.02

Polar Surface Area

81.116

Acid Dissociation Constant (pKa)

8.63

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

G531-0282 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 G531-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0282?
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What is the minimum amount of G531-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0282
  • 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 G531-0282 available by request