K248-0103 Screening compound: 4-chloro-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(2-furylmethyl)benzamide

K248-0103 Screening compound: 4-chloro-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(2-furylmethyl)benzamide
K248-0103 Screening compound: 4-chloro-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(2-furylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K248-0103
4-chloro-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(2-furylmethyl)benzamide

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

K248-0103

Molecular Formula

C17H16ClN3O4S2 (C17 H16 ClN3 O4 S2)

Compound Name

4-chloro-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(2-furylmethyl)benzamide

IUPAC name

4-chloro-3-({55-dioxo-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazol-2-yl}amino)-N-[(furan-2-yl)methyl]benzamide

SMILES

O=C(c(cc1)cc(NC2=NC(CS(C3)(=O)=O)C3S2)c1Cl)NCc1ccco1

InChI

InChI=1S/C17H16ClN3O4S2/c18-12-4-3-10(16(22)19-7-11-2-1-5-25-11)6-13(12)20-17-21-14-8-27(23,24)9-15(14)26-17/h1-6,14-15H,7-9H2,(H,19,22)(H,20,21)

InChI Key

KGYILCAFUXKCDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.624

Distribution Coefficient, logD

2.624

Water Solubility, LogSw

-3.62

Polar Surface Area

78.806

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with K248-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0103?
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What is the minimum amount of K248-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0103
  • 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 K248-0103 available by request