G531-0259 Screening compound: 1-(3-chlorophenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methylurea

G531-0259 Screening compound: 1-(3-chlorophenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methylurea
G531-0259 Screening compound: 1-(3-chlorophenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0259
1-(3-chlorophenyl)-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

G531-0259

Molecular Formula

C17H23ClN4O (C17 H23 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

CCn1nc(C)c(CCN(C)C(Nc2cccc(Cl)c2)=O)c1C

InChI

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

InChI Key

MKLAAQJVKMGETN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142696

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

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.195

Distribution Coefficient, logD

3.195

Water Solubility, LogSw

-3.58

Polar Surface Area

39.466

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

G531-0259 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G531-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0259?
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What is the minimum amount of G531-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0259
  • 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 G531-0259 available by request