D314-0209 Screening compound: 1-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methylpiperazine

D314-0209 Screening compound: 1-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methylpiperazine
D314-0209 Screening compound: 1-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0209
1-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methylpiperazine

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

D314-0209

Molecular Formula

C22H27N5OS (C22 H27 N5 OS)

Compound Name

1-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methylpiperazine

IUPAC name

1-[2-(4-benzyl-35-dimethyl-1H-pyrazol-1-yl)-4-methyl-13-thiazole-5-carbonyl]-4-methylpiperazine

SMILES

Cc1c(Cc2ccccc2)c(C)nn1-c1nc(C)c(C(N2CCN(C)CC2)=O)s1

InChI

InChI=1S/C22H27N5OS/c1-15-19(14-18-8-6-5-7-9-18)17(3)27(24-15)22-23-16(2)20(29-22)21(28)26-12-10-25(4)11-13-26/h5-9H,10-14H2,1-4H3

InChI Key

SUWOFHAZRDLNRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818062

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

409.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.175

Distribution Coefficient, logD

3.049

Water Solubility, LogSw

-3.17

Polar Surface Area

44.907

Acid Dissociation Constant (pKa)

21.88

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D314-0209 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D314-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0209?
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What is the minimum amount of D314-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0209
  • 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 D314-0209 available by request