K248-0246 Screening compound: N~1~-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}acetamide

K248-0246 Screening compound: N~1~-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}acetamide
K248-0246 Screening compound: N~1~-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K248-0246
N~1~-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}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

K248-0246

Molecular Formula

C24H32N4O4S2 (C24 H32 N4 O4 S2)

Compound Name

N~1~-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}acetamide

IUPAC name

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

SMILES

CCC(C)N(CCNC(Cc(cc1)ccc1NC1=NC(CS(C2)(=O)=O)C2S1)=O)Cc1ccco1

InChI

InChI=1S/C24H32N4O4S2/c1-3-17(2)28(14-20-5-4-12-32-20)11-10-25-23(29)13-18-6-8-19(9-7-18)26-24-27-21-15-34(30,31)16-22(21)33-24/h4-9,12,17,21-22H,3,10-11,13-16H2,1-2H3,(H,25,29)(H,26,27)

InChI Key

ONIDEQMXMMZNJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.216

Distribution Coefficient, logD

1.485

Water Solubility, LogSw

-2.91

Polar Surface Area

82.314

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

K248-0246 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K248-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0246?
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What is the minimum amount of K248-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0246
  • 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 K248-0246 available by request