G531-0324 Screening compound: 3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(4-fluorophenyl)methyl]-3-methylurea

G531-0324 Screening compound: 3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(4-fluorophenyl)methyl]-3-methylurea
G531-0324 Screening compound: 3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(4-fluorophenyl)methyl]-3-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0324
3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(4-fluorophenyl)methyl]-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

G531-0324

Molecular Formula

C18H25FN4O (C18 H25 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

CCn1nc(C)c(CCN(C)C(NCc(cc2)ccc2F)=O)c1C

InChI

InChI=1S/C18H25FN4O/c1-5-23-14(3)17(13(2)21-23)10-11-22(4)18(24)20-12-15-6-8-16(19)9-7-15/h6-9H,5,10-12H2,1-4H3,(H,20,24)

InChI Key

PPFRPIXGTNTRTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.173

Distribution Coefficient, logD

2.172

Water Solubility, LogSw

-2.61

Polar Surface Area

40.788

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G531-0324 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G531-0324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0324?
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What is the minimum amount of G531-0324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0324
  • 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 G531-0324 available by request