K248-0211 Screening compound: N~1~-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide

K248-0211 Screening compound: N~1~-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide
K248-0211 Screening compound: N~1~-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-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 K248-0211
N~1~-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-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

K248-0211

Molecular Formula

C23H30N4O4S2 (C23 H30 N4 O4 S2)

Compound Name

N~1~-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-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-{2-[(butan-2-yl)[(furan-2-yl)methyl]amino]ethyl}-4-({55-dioxo-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazol-2-yl}amino)benzamide

SMILES

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

InChI

InChI=1S/C23H30N4O4S2/c1-3-16(2)27(13-19-5-4-12-31-19)11-10-24-22(28)17-6-8-18(9-7-17)25-23-26-20-14-33(29,30)15-21(20)32-23/h4-9,12,16,20-21H,3,10-11,13-15H2,1-2H3,(H,24,28)(H,25,26)

InChI Key

CZYNOWLCDXWTMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.490

Distribution Coefficient, logD

2.273

Water Solubility, LogSw

-2.98

Polar Surface Area

82.527

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

7.21

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

47.80

K248-0211 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K248-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0211?
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What is the minimum amount of K248-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0211
  • 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 K248-0211 available by request