K248-0142 Screening compound: 2-(2-chloro-5-{[4-(3-methoxyphenyl)piperazino]carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

K248-0142 Screening compound: 2-(2-chloro-5-{[4-(3-methoxyphenyl)piperazino]carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
K248-0142 Screening compound: 2-(2-chloro-5-{[4-(3-methoxyphenyl)piperazino]carbonyl}anilino)-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 K248-0142
2-(2-chloro-5-{[4-(3-methoxyphenyl)piperazino]carbonyl}anilino)-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

K248-0142

Molecular Formula

C23H25ClN4O4S2 (C23 H25 ClN4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(N(CC2)CCN2C(c(cc2)cc(NC3=NC(CS(C4)(=O)=O)C4S3)c2Cl)=O)c1

InChI

InChI=1S/C23H25ClN4O4S2/c1-32-17-4-2-3-16(12-17)27-7-9-28(10-8-27)22(29)15-5-6-18(24)19(11-15)25-23-26-20-13-34(30,31)14-21(20)33-23/h2-6,11-12,20-21H,7-10,13-14H2,1H3,(H,25,26)

InChI Key

KNKGXRPCWHKEMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.06

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.948

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-3.66

Polar Surface Area

74.096

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

K248-0142 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K248-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0142?
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What is the minimum amount of K248-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0142
  • 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 K248-0142 available by request