K248-0045 Screening compound: N~1~-(3,5-dimethylphenyl)-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide

K248-0045 Screening compound: N~1~-(3,5-dimethylphenyl)-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide
K248-0045 Screening compound: N~1~-(3,5-dimethylphenyl)-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K248-0045
N~1~-(3,5-dimethylphenyl)-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]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

K248-0045

Molecular Formula

C20H21N3O3S2 (C20 H21 N3 O3 S2)

Compound Name

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

IUPAC name

N-(35-dimethylphenyl)-4-({55-dioxo-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazol-2-yl}amino)benzamide

SMILES

Cc1cc(NC(c(cc2)ccc2NC2=NC(CS(C3)(=O)=O)C3S2)=O)cc(C)c1

InChI

InChI=1S/C20H21N3O3S2/c1-12-7-13(2)9-16(8-12)21-19(24)14-3-5-15(6-4-14)22-20-23-17-10-28(25,26)11-18(17)27-20/h3-9,17-18H,10-11H2,1-2H3,(H,21,24)(H,22,23)

InChI Key

HDRHKKJPKIZMRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.129

Distribution Coefficient, logD

3.129

Water Solubility, LogSw

-3.45

Polar Surface Area

70.433

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

K248-0045 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with K248-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0045?
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What is the minimum amount of K248-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0045
  • 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 K248-0045 available by request