P431-1214 Screening compound: 3-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-1-[2-(trifluoromethyl)phenyl]urea

P431-1214 Screening compound: 3-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-1-[2-(trifluoromethyl)phenyl]urea
P431-1214 Screening compound: 3-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-1-[2-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound P431-1214
3-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-1-[2-(trifluoromethyl)phenyl]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

P431-1214

Molecular Formula

C19H18F3N7O (C19 H18 F3 N7 O)

Compound Name

3-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-1-[2-(trifluoromethyl)phenyl]urea

IUPAC name

3-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-1-[2-(trifluoromethyl)phenyl]urea

SMILES

O=C(Nc1cn(-c(nc2)ncc2N2CCCC2)nc1)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C19H18F3N7O/c20-19(21,22)15-5-1-2-6-16(15)27-18(30)26-13-9-25-29(12-13)17-23-10-14(11-24-17)28-7-3-4-8-28/h1-2,5-6,9-12H,3-4,7-8H2,(H2,26,27,30)

InChI Key

BUGGEQCOLDOFLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27574547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.320

Distribution Coefficient, logD

3.320

Water Solubility, LogSw

-3.72

Polar Surface Area

68.561

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

P431-1214 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P431-1214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P431-1214?
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What is the minimum amount of P431-1214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P431-1214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P431-1214
  • 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 P431-1214 available by request