K248-0118 Screening compound: 2-{5-[(4-benzylpiperazino)carbonyl]-2-chloroanilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

K248-0118 Screening compound: 2-{5-[(4-benzylpiperazino)carbonyl]-2-chloroanilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
K248-0118 Screening compound: 2-{5-[(4-benzylpiperazino)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 K248-0118
2-{5-[(4-benzylpiperazino)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

K248-0118

Molecular Formula

C23H25ClN4O3S2 (C23 H25 ClN4 O3 S2)

Compound Name

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

SMILES

O=C(c(cc1)cc(NC2=NC(CS(C3)(=O)=O)C3S2)c1Cl)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C23H25ClN4O3S2/c24-18-7-6-17(12-19(18)25-23-26-20-14-33(30,31)15-21(20)32-23)22(29)28-10-8-27(9-11-28)13-16-4-2-1-3-5-16/h1-7,12,20-21H,8-11,13-15H2,(H,25,26)

InChI Key

FKCJNBAOJILKEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.06

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.521

Distribution Coefficient, logD

2.505

Water Solubility, LogSw

-3.44

Polar Surface Area

66.832

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with K248-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K248-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0118
  • 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 K248-0118 available by request