K248-0137 Screening compound: 2-(5-{[4-(4-acetylphenyl)piperazino]carbonyl}-2-chloroanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

K248-0137 Screening compound: 2-(5-{[4-(4-acetylphenyl)piperazino]carbonyl}-2-chloroanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
K248-0137 Screening compound: 2-(5-{[4-(4-acetylphenyl)piperazino]carbonyl}-2-chloroanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K248-0137
2-(5-{[4-(4-acetylphenyl)piperazino]carbonyl}-2-chloroanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

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

K248-0137

Molecular Formula

C24H25ClN4O4S2 (C24 H25 ClN4 O4 S2)

Compound Name

2-(5-{[4-(4-acetylphenyl)piperazino]carbonyl}-2-chloroanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

IUPAC name

2-({5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-chlorophenyl}amino)-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazole-55-dione

SMILES

CC(c(cc1)ccc1N(CC1)CCN1C(c(cc1)cc(NC2=NC(CS(C3)(=O)=O)C3S2)c1Cl)=O)=O

InChI

InChI=1S/C24H25ClN4O4S2/c1-15(30)16-2-5-18(6-3-16)28-8-10-29(11-9-28)23(31)17-4-7-19(25)20(12-17)26-24-27-21-13-35(32,33)14-22(21)34-24/h2-7,12,21-22H,8-11,13-14H2,1H3,(H,26,27)

InChI Key

NZJDUQVWMXODFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.07

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

2.503

Water Solubility, LogSw

-3.51

Polar Surface Area

80.379

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

K248-0137 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K248-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0137?
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What is the minimum amount of K248-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0137
  • 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 K248-0137 available by request