V018-3572 Screening compound: N-[5-amino-3-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyrrolidine-1-carboxamide

V018-3572 Screening compound: N-[5-amino-3-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyrrolidine-1-carboxamide
V018-3572 Screening compound: N-[5-amino-3-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3572
N-[5-amino-3-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyrrolidine-1-carboxamide

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

V018-3572

Molecular Formula

C21H19ClF3N5O (C21 H19 ClF3 N5 O)

Compound Name

N-[5-amino-3-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyrrolidine-1-carboxamide

IUPAC name

N-[5-amino-3-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyrrolidine-1-carboxamide

SMILES

Nc(n(-c1ccc(C(F)(F)F)cc1)nc1-c(cc2)ccc2Cl)c1NC(N1CCCC1)=O

InChI

InChI=1S/C21H19ClF3N5O/c22-15-7-3-13(4-8-15)17-18(27-20(31)29-11-1-2-12-29)19(26)30(28-17)16-9-5-14(6-10-16)21(23,24)25/h3-10H,1-2,11-12,26H2,(H,27,31)

InChI Key

WKHZLLMQSLFKEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14265540

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

449.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.591

Water Solubility, LogSw

-4.89

Polar Surface Area

58.269

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V018-3572 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 V018-3572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3572?
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What is the minimum amount of V018-3572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3572
  • 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 V018-3572 available by request