K248-0175 Screening compound: 2-(4-{[3-methyl-4-(4-methylphenyl)piperazino]carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

K248-0175 Screening compound: 2-(4-{[3-methyl-4-(4-methylphenyl)piperazino]carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
K248-0175 Screening compound: 2-(4-{[3-methyl-4-(4-methylphenyl)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 K248-0175
2-(4-{[3-methyl-4-(4-methylphenyl)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

K248-0175

Molecular Formula

C24H28N4O3S2 (C24 H28 N4 O3 S2)

Compound Name

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

SMILES

CC(CN(CC1)C(c(cc2)ccc2NC2=NC(CS(C3)(=O)=O)C3S2)=O)N1c1ccc(C)cc1

InChI

InChI=1S/C24H28N4O3S2/c1-16-3-9-20(10-4-16)28-12-11-27(13-17(28)2)23(29)18-5-7-19(8-6-18)25-24-26-21-14-33(30,31)15-22(21)32-24/h3-10,17,21-22H,11-15H2,1-2H3,(H,25,26)

InChI Key

JSSMJNINZJSXQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.891

Distribution Coefficient, logD

2.891

Water Solubility, LogSw

-3.46

Polar Surface Area

66.469

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with K248-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0175?
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What is the minimum amount of K248-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0175
  • 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 K248-0175 available by request