D314-0701 Screening compound: 2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

D314-0701 Screening compound: 2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
D314-0701 Screening compound: 2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0701
2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

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

D314-0701

Molecular Formula

C25H26N4O2S (C25 H26 N4 O2 S)

Compound Name

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

IUPAC name

2-{35-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-N-(3-methoxyphenyl)-4-methyl-13-thiazole-5-carboxamide

SMILES

Cc1c(Cc2ccc(C)cc2)c(C)nn1-c1nc(C)c(C(Nc2cc(OC)ccc2)=O)s1

InChI

InChI=1S/C25H26N4O2S/c1-15-9-11-19(12-10-15)13-22-16(2)28-29(18(22)4)25-26-17(3)23(32-25)24(30)27-20-7-6-8-21(14-20)31-5/h6-12,14H,13H2,1-5H3,(H,27,30)

InChI Key

LLFZCNLTRGFFDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.463

Distribution Coefficient, logD

5.461

Water Solubility, LogSw

-5.39

Polar Surface Area

55.417

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with D314-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0701?
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What is the minimum amount of D314-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0701
  • 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 D314-0701 available by request