D314-0271 Screening compound: 1-(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)-2-methylpiperidine

D314-0271 Screening compound: 1-(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)-2-methylpiperidine
D314-0271 Screening compound: 1-(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)-2-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0271
1-(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)-2-methylpiperidine

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

D314-0271

Molecular Formula

C23H27ClN4OS (C23 H27 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(CCCC1)N1C(c1c(C)nc(-n2nc(C)c(Cc(cc3)ccc3Cl)c2C)s1)=O

InChI

InChI=1S/C23H27ClN4OS/c1-14-7-5-6-12-27(14)22(29)21-16(3)25-23(30-21)28-17(4)20(15(2)26-28)13-18-8-10-19(24)11-9-18/h8-11,14H,5-7,12-13H2,1-4H3/t14-/m0/s1

InChI Key

HGAUHFNWXRZWHE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14818104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.01

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

5.208

Distribution Coefficient, logD

5.182

Water Solubility, LogSw

-5.65

Polar Surface Area

40.715

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

D314-0271 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D314-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0271?
Check Price and Availability of D314-0271, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D314-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0271
  • 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 D314-0271 available by request