D314-0086 Screening compound: ethyl 4-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate

D314-0086 Screening compound: ethyl 4-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate
D314-0086 Screening compound: ethyl 4-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0086
ethyl 4-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate

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

D314-0086

Molecular Formula

C17H22ClN5O3S (C17 H22 ClN5 O3 S)

Compound Name

ethyl 4-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[2-(4-chloro-35-dimethyl-1H-pyrazol-1-yl)-4-methyl-13-thiazole-5-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1c(C)nc(-n2nc(C)c(Cl)c2C)s1)=O)=O

InChI

InChI=1S/C17H22ClN5O3S/c1-5-26-17(25)22-8-6-21(7-9-22)15(24)14-11(3)19-16(27-14)23-12(4)13(18)10(2)20-23/h5-9H2,1-4H3

InChI Key

OUYXEVBGGFKJJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.638

Distribution Coefficient, logD

2.634

Water Solubility, LogSw

-3.43

Polar Surface Area

64.482

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

D314-0086 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D314-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0086?
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What is the minimum amount of D314-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0086
  • 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 D314-0086 available by request