G531-0195 Screening compound: 1,4-dimethyl 2-({methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzene-1,4-dicarboxylate

G531-0195 Screening compound: 1,4-dimethyl 2-({methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzene-1,4-dicarboxylate
G531-0195 Screening compound: 1,4-dimethyl 2-({methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0195
1,4-dimethyl 2-({methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]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

G531-0195

Molecular Formula

C20H26N4O5 (C20 H26 N4 O5)

Compound Name

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

IUPAC name

14-dimethyl 2-({methyl[2-(135-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzene-14-dicarboxylate

SMILES

Cc1c(CCN(C)C(Nc(cc(cc2)C(OC)=O)c2C(OC)=O)=O)c(C)nn1C

InChI

InChI=1S/C20H26N4O5/c1-12-15(13(2)24(4)22-12)9-10-23(3)20(27)21-17-11-14(18(25)28-5)7-8-16(17)19(26)29-6/h7-8,11H,9-10H2,1-6H3,(H,21,27)

InChI Key

MDVQRMFLDIMMNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.114

Distribution Coefficient, logD

2.089

Water Solubility, LogSw

-3.10

Polar Surface Area

81.677

Acid Dissociation Constant (pKa)

8.63

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G531-0195 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 G531-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0195?
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What is the minimum amount of G531-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0195
  • 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 G531-0195 available by request