K248-0094 Screening compound: N~1~-(2,3-dimethylcyclohexyl)-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide

K248-0094 Screening compound: N~1~-(2,3-dimethylcyclohexyl)-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide
K248-0094 Screening compound: N~1~-(2,3-dimethylcyclohexyl)-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 K248-0094
N~1~-(2,3-dimethylcyclohexyl)-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

K248-0094

Molecular Formula

C20H27N3O3S2 (C20 H27 N3 O3 S2)

Compound Name

N~1~-(2,3-dimethylcyclohexyl)-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-(23-dimethylcyclohexyl)-4-({55-dioxo-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazol-2-yl}amino)benzamide

SMILES

CC(CCC1)C(C)C1NC(c(cc1)ccc1NC1=NC(CS(C2)(=O)=O)C2S1)=O

InChI

InChI=1S/C20H27N3O3S2/c1-12-4-3-5-16(13(12)2)22-19(24)14-6-8-15(9-7-14)21-20-23-17-10-28(25,26)11-18(17)27-20/h6-9,12-13,16-18H,3-5,10-11H2,1-2H3,(H,21,23)(H,22,24)

InChI Key

XZKXUIPHSHAROI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.58

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

2.528

Distribution Coefficient, logD

2.527

Water Solubility, LogSw

-2.96

Polar Surface Area

71.870

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with K248-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0094?
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What is the minimum amount of K248-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0094
  • 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 K248-0094 available by request