D314-0341 Screening compound: 2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazole

D314-0341 Screening compound: 2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazole
D314-0341 Screening compound: 2-{4-[(2-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 D314-0341
2-{4-[(2-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

D314-0341

Molecular Formula

C21H23ClN4OS (C21 H23 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cc(cccc2)c2Cl)c(C)nn1-c1nc(C)c(C(N2CCCC2)=O)s1

InChI

InChI=1S/C21H23ClN4OS/c1-13-17(12-16-8-4-5-9-18(16)22)15(3)26(24-13)21-23-14(2)19(28-21)20(27)25-10-6-7-11-25/h4-5,8-9H,6-7,10-12H2,1-3H3

InChI Key

KXDYQJYBKOZAGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818137

Chemical and Physical Properties

Saltdata

n/a

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

4.758

Distribution Coefficient, logD

4.705

Water Solubility, LogSw

-4.74

Polar Surface Area

41.796

Acid Dissociation Constant (pKa)

21.88

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D314-0341 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D314-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0341?
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What is the minimum amount of D314-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0341
  • 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 D314-0341 available by request