D314-0406 Screening compound: 2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazole

D314-0406 Screening compound: 2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazole
D314-0406 Screening compound: 2-{4-[(4-methoxyphenyl)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 D314-0406
2-{4-[(4-methoxyphenyl)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

D314-0406

Molecular Formula

C22H26N4O2S (C22 H26 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cc(cc2)ccc2OC)c(C)nn1-c1nc(C)c(C(N2CCCC2)=O)s1

InChI

InChI=1S/C22H26N4O2S/c1-14-19(13-17-7-9-18(28-4)10-8-17)16(3)26(24-14)22-23-15(2)20(29-22)21(27)25-11-5-6-12-25/h7-10H,5-6,11-13H2,1-4H3

InChI Key

NFNWBLVSDJPKMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818162

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

410.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.052

Distribution Coefficient, logD

3.999

Water Solubility, LogSw

-4.18

Polar Surface Area

49.340

Acid Dissociation Constant (pKa)

21.88

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D314-0406 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D314-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0406?
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What is the minimum amount of D314-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0406
  • 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 D314-0406 available by request