G531-0202 Screening compound: 1-(3-chloro-2-methylphenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea

G531-0202 Screening compound: 1-(3-chloro-2-methylphenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea
G531-0202 Screening compound: 1-(3-chloro-2-methylphenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0202
1-(3-chloro-2-methylphenyl)-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

G531-0202

Molecular Formula

C17H23ClN4O (C17 H23 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCN(C)C(Nc2cccc(Cl)c2C)=O)c(C)nn1C

InChI

InChI=1S/C17H23ClN4O/c1-11-15(18)7-6-8-16(11)19-17(23)21(4)10-9-14-12(2)20-22(5)13(14)3/h6-8H,9-10H2,1-5H3,(H,19,23)

InChI Key

SWMNVTXZEVEYNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.106

Distribution Coefficient, logD

3.106

Water Solubility, LogSw

-3.48

Polar Surface Area

39.330

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

G531-0202 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G531-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0202?
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What is the minimum amount of G531-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0202
  • 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 G531-0202 available by request