D481-1727 Screening compound: 2-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

D481-1727 Screening compound: 2-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
D481-1727 Screening compound: 2-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-1727
2-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)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

D481-1727

Molecular Formula

C26H23N5OS2 (C26 H23 N5 OS2)

Compound Name

2-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

IUPAC name

2-[2-(4-benzyl-35-dimethyl-1H-pyrazol-1-yl)-13-thiazol-4-yl]-N-(4-phenyl-13-thiazol-2-yl)acetamide

SMILES

Cc1c(Cc2ccccc2)c(C)nn1-c1nc(CC(Nc2nc(-c3ccccc3)cs2)=O)cs1

InChI

InChI=1S/C26H23N5OS2/c1-17-22(13-19-9-5-3-6-10-19)18(2)31(30-17)26-27-21(15-34-26)14-24(32)29-25-28-23(16-33-25)20-11-7-4-8-12-20/h3-12,15-16H,13-14H2,1-2H3,(H,28,29,32)

InChI Key

YNCCXMVBOYUJBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.352

Distribution Coefficient, logD

6.351

Water Solubility, LogSw

-5.64

Polar Surface Area

57.353

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D481-1727 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D481-1727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-1727?
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What is the minimum amount of D481-1727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-1727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-1727
  • 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 D481-1727 available by request