G531-0185 Screening compound: 1-(5-chloro-2-methoxyphenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea

G531-0185 Screening compound: 1-(5-chloro-2-methoxyphenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea
G531-0185 Screening compound: 1-(5-chloro-2-methoxyphenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0185
1-(5-chloro-2-methoxyphenyl)-3-methyl-3-[2-(1,3,5-trimethyl-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

G531-0185

Molecular Formula

C17H23ClN4O2 (C17 H23 ClN4 O2)

Compound Name

1-(5-chloro-2-methoxyphenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea

IUPAC name

1-(5-chloro-2-methoxyphenyl)-3-methyl-3-[2-(135-trimethyl-1H-pyrazol-4-yl)ethyl]urea

SMILES

Cc1c(CCN(C)C(Nc(cc(cc2)Cl)c2OC)=O)c(C)nn1C

InChI

InChI=1S/C17H23ClN4O2/c1-11-14(12(2)22(4)20-11)8-9-21(3)17(23)19-15-10-13(18)6-7-16(15)24-5/h6-7,10H,8-9H2,1-5H3,(H,19,23)

InChI Key

VLPBTMIUFWNQOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.552

Distribution Coefficient, logD

2.550

Water Solubility, LogSw

-3.48

Polar Surface Area

46.960

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

G531-0185 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G531-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0185?
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What is the minimum amount of G531-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0185
  • 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 G531-0185 available by request