D314-0276 Screening compound: 2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazole

D314-0276 Screening compound: 2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazole
D314-0276 Screening compound: 2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0276
2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazole

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

D314-0276

Molecular Formula

C21H23ClN4OS (C21 H23 ClN4 OS)

Compound Name

2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazole

IUPAC name

2-{4-[(4-chlorophenyl)methyl]-35-dimethyl-1H-pyrazol-1-yl}-4-methyl-5-(pyrrolidine-1-carbonyl)-13-thiazole

SMILES

Cc1c(Cc(cc2)ccc2Cl)c(C)nn1-c1nc(C)c(C(N2CCCC2)=O)s1

InChI

InChI=1S/C21H23ClN4OS/c1-13-18(12-16-6-8-17(22)9-7-16)15(3)26(24-13)21-23-14(2)19(28-21)20(27)25-10-4-5-11-25/h6-9H,4-5,10-12H2,1-3H3

InChI Key

WQAXVBHYCCVOCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818108

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

414.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.665

Distribution Coefficient, logD

4.611

Water Solubility, LogSw

-4.79

Polar Surface Area

41.796

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D314-0276 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D314-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0276?
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What is the minimum amount of D314-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0276
  • 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 D314-0276 available by request