G531-0239 Screening compound: 1-[(4-fluorophenyl)methyl]-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea

G531-0239 Screening compound: 1-[(4-fluorophenyl)methyl]-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea
G531-0239 Screening compound: 1-[(4-fluorophenyl)methyl]-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0239
1-[(4-fluorophenyl)methyl]-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

G531-0239

Molecular Formula

C17H23FN4O (C17 H23 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCN(C)C(NCc(cc2)ccc2F)=O)c(C)nn1C

InChI

InChI=1S/C17H23FN4O/c1-12-16(13(2)22(4)20-12)9-10-21(3)17(23)19-11-14-5-7-15(18)8-6-14/h5-8H,9-11H2,1-4H3,(H,19,23)

InChI Key

MMDLVDFRAXFDKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.39

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

1.634

Distribution Coefficient, logD

1.634

Water Solubility, LogSw

-2.00

Polar Surface Area

41.350

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with G531-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0239?
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What is the minimum amount of G531-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0239
  • 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 G531-0239 available by request