D458-0943 Screening compound: 2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}-N-(3,4-dimethylphenyl)acetamide

D458-0943 Screening compound: 2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}-N-(3,4-dimethylphenyl)acetamide
D458-0943 Screening compound: 2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}-N-(3,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D458-0943
2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}-N-(3,4-dimethylphenyl)acetamide

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

D458-0943

Molecular Formula

C25H26N4OS (C25 H26 N4 OS)

Compound Name

2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}-N-(3,4-dimethylphenyl)acetamide

IUPAC name

2-{35-dimethyl-1-[4-(4-methylphenyl)-13-thiazol-2-yl]-1H-pyrazol-4-yl}-N-(34-dimethylphenyl)acetamide

SMILES

Cc1c(CC(Nc2cc(C)c(C)cc2)=O)c(C)nn1-c1nc(-c2ccc(C)cc2)cs1

InChI

InChI=1S/C25H26N4OS/c1-15-6-9-20(10-7-15)23-14-31-25(27-23)29-19(5)22(18(4)28-29)13-24(30)26-21-11-8-16(2)17(3)12-21/h6-12,14H,13H2,1-5H3,(H,26,30)

InChI Key

YUHMMAZYUUGOTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.406

Distribution Coefficient, logD

6.404

Water Solubility, LogSw

-5.55

Polar Surface Area

47.083

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D458-0943 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D458-0943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D458-0943?
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What is the minimum amount of D458-0943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D458-0943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D458-0943
  • 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 D458-0943 available by request