G531-0277 Screening compound: 1-(5-chloro-2-methylphenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methylurea

G531-0277 Screening compound: 1-(5-chloro-2-methylphenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methylurea
G531-0277 Screening compound: 1-(5-chloro-2-methylphenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0277
1-(5-chloro-2-methylphenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methylurea

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

G531-0277

Molecular Formula

C18H25ClN4O (C18 H25 ClN4 O)

Compound Name

1-(5-chloro-2-methylphenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methylurea

IUPAC name

1-(5-chloro-2-methylphenyl)-3-[2-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methylurea

SMILES

CCn1nc(C)c(CCN(C)C(Nc2c(C)ccc(Cl)c2)=O)c1C

InChI

InChI=1S/C18H25ClN4O/c1-6-23-14(4)16(13(3)21-23)9-10-22(5)18(24)20-17-11-15(19)8-7-12(17)2/h7-8,11H,6,9-10H2,1-5H3,(H,20,24)

InChI Key

UFONFPQZXVKYJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.295

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.63

Polar Surface Area

38.768

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G531-0277 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G531-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0277?
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What is the minimum amount of G531-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0277
  • 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 G531-0277 available by request