K248-0280 Screening compound: N~1~-(3,5-dimethylphenyl)-2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-3,5-dimethylanilino]acetamide

K248-0280 Screening compound: N~1~-(3,5-dimethylphenyl)-2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-3,5-dimethylanilino]acetamide
K248-0280 Screening compound: N~1~-(3,5-dimethylphenyl)-2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-3,5-dimethylanilino]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K248-0280
N~1~-(3,5-dimethylphenyl)-2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-3,5-dimethylanilino]acetamide

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

K248-0280

Molecular Formula

C23H27N3O3S2 (C23 H27 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(NC(CN(C2=NC(CS(C3)(=O)=O)C3S2)c2cc(C)cc(C)c2)=O)cc(C)c1

InChI

InChI=1S/C23H27N3O3S2/c1-14-5-15(2)8-18(7-14)24-22(27)11-26(19-9-16(3)6-17(4)10-19)23-25-20-12-31(28,29)13-21(20)30-23/h5-10,20-21H,11-13H2,1-4H3,(H,24,27)

InChI Key

STXUYDCYFVOANK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.546

Distribution Coefficient, logD

4.546

Water Solubility, LogSw

-4.24

Polar Surface Area

63.164

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

K248-0280 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K248-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0280?
Check Price and Availability of K248-0280, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K248-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0280
  • 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 K248-0280 available by request