K248-0181 Screening compound: 2-[4-({4-[2-(4-chlorophenoxy)ethyl]piperazino}carbonyl)anilino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

K248-0181 Screening compound: 2-[4-({4-[2-(4-chlorophenoxy)ethyl]piperazino}carbonyl)anilino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
K248-0181 Screening compound: 2-[4-({4-[2-(4-chlorophenoxy)ethyl]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 K248-0181
2-[4-({4-[2-(4-chlorophenoxy)ethyl]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

K248-0181

Molecular Formula

C24H27ClN4O4S2 (C24 H27 ClN4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1NC1=NC(CS(C2)(=O)=O)C2S1)N1CCN(CCOc(cc2)ccc2Cl)CC1

InChI

InChI=1S/C24H27ClN4O4S2/c25-18-3-7-20(8-4-18)33-14-13-28-9-11-29(12-10-28)23(30)17-1-5-19(6-2-17)26-24-27-21-15-35(31,32)16-22(21)34-24/h1-8,21-22H,9-16H2,(H,26,27)

InChI Key

SJPVXORKBCIOKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.09

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.709

Distribution Coefficient, logD

2.702

Water Solubility, LogSw

-3.73

Polar Surface Area

74.926

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

K248-0181 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K248-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0181?
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What is the minimum amount of K248-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0181
  • 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 K248-0181 available by request