G531-0102 Screening compound: 1-(2,5-dimethoxyphenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea

G531-0102 Screening compound: 1-(2,5-dimethoxyphenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea
G531-0102 Screening compound: 1-(2,5-dimethoxyphenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0102
1-(2,5-dimethoxyphenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea

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

G531-0102

Molecular Formula

C18H26N4O3 (C18 H26 N4 O3)

Compound Name

1-(2,5-dimethoxyphenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea

IUPAC name

1-(25-dimethoxyphenyl)-3-[2-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)ethyl]urea

SMILES

CCn1nc(C)c(CCNC(Nc(cc(cc2)OC)c2OC)=O)c1C

InChI

InChI=1S/C18H26N4O3/c1-6-22-13(3)15(12(2)21-22)9-10-19-18(23)20-16-11-14(24-4)7-8-17(16)25-5/h7-8,11H,6,9-10H2,1-5H3,(H2,19,20,23)

InChI Key

CVIMULGUWHJSQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.919

Distribution Coefficient, logD

1.918

Water Solubility, LogSw

-2.62

Polar Surface Area

62.459

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G531-0102 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G531-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0102?
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What is the minimum amount of G531-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0102
  • 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 G531-0102 available by request