D314-0321 Screening compound: methyl 2-[(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]acetate

D314-0321 Screening compound: methyl 2-[(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]acetate
D314-0321 Screening compound: methyl 2-[(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0321
methyl 2-[(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]acetate

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

D314-0321

Molecular Formula

C20H21ClN4O3S (C20 H21 ClN4 O3 S)

Compound Name

methyl 2-[(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)formamido]acetate

IUPAC name

methyl 2-[(2-{4-[(4-chlorophenyl)methyl]-35-dimethyl-1H-pyrazol-1-yl}-4-methyl-13-thiazol-5-yl)formamido]acetate

SMILES

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

InChI

InChI=1S/C20H21ClN4O3S/c1-11-16(9-14-5-7-15(21)8-6-14)13(3)25(24-11)20-23-12(2)18(29-20)19(27)22-10-17(26)28-4/h5-8H,9-10H2,1-4H3,(H,22,27)

InChI Key

UJUWESLTUADRGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.662

Distribution Coefficient, logD

3.656

Water Solubility, LogSw

-4.28

Polar Surface Area

70.046

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D314-0321 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D314-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0321?
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What is the minimum amount of D314-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0321
  • 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 D314-0321 available by request