K248-0048 Screening compound: 4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(3-methylphenyl)benzamide

K248-0048 Screening compound: 4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(3-methylphenyl)benzamide
K248-0048 Screening compound: 4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(3-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K248-0048
4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(3-methylphenyl)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

K248-0048

Molecular Formula

C19H19N3O3S2 (C19 H19 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(c(cc2)ccc2NC2=NC(CS(C3)(=O)=O)C3S2)=O)c1

InChI

InChI=1S/C19H19N3O3S2/c1-12-3-2-4-15(9-12)20-18(23)13-5-7-14(8-6-13)21-19-22-16-10-27(24,25)11-17(16)26-19/h2-9,16-17H,10-11H2,1H3,(H,20,23)(H,21,22)

InChI Key

MFYRGQCPQJWDNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

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

2.796

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-3.39

Polar Surface Area

70.433

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

K248-0048 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 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 K248-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0048?
Check Price and Availability of K248-0048, 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 K248-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0048
  • 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 K248-0048 available by request