K248-0016 Screening compound: N~1~-butyl-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide

K248-0016 Screening compound: N~1~-butyl-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide
K248-0016 Screening compound: N~1~-butyl-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 K248-0016
N~1~-butyl-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

K248-0016

Molecular Formula

C16H21N3O3S2 (C16 H21 N3 O3 S2)

Compound Name

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

SMILES

CCCCNC(c(cc1)ccc1NC1=NC(CS(C2)(=O)=O)C2S1)=O

InChI

InChI=1S/C16H21N3O3S2/c1-2-3-8-17-15(20)11-4-6-12(7-5-11)18-16-19-13-9-24(21,22)10-14(13)23-16/h4-7,13-14H,2-3,8-10H2,1H3,(H,17,20)(H,18,19)

InChI Key

JMHBPOULNMGHSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.915

Distribution Coefficient, logD

1.915

Water Solubility, LogSw

-2.73

Polar Surface Area

71.868

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with K248-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0016?
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What is the minimum amount of K248-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0016
  • 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 K248-0016 available by request