K248-0018 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide

K248-0018 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide
K248-0018 Screening compound: N~1~-[2-(1-cyclohexenyl)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 K248-0018
N~1~-[2-(1-cyclohexenyl)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

K248-0018

Molecular Formula

C20H25N3O3S2 (C20 H25 N3 O3 S2)

Compound Name

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

SMILES

O=C(c(cc1)ccc1NC1=NC(CS(C2)(=O)=O)C2S1)NCCC1=CCCCC1

InChI

InChI=1S/C20H25N3O3S2/c24-19(21-11-10-14-4-2-1-3-5-14)15-6-8-16(9-7-15)22-20-23-17-12-28(25,26)13-18(17)27-20/h4,6-9,17-18H,1-3,5,10-13H2,(H,21,24)(H,22,23)

InChI Key

GZWZNCVMYWSKIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.57

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

2.406

Distribution Coefficient, logD

2.406

Water Solubility, LogSw

-2.84

Polar Surface Area

71.789

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 K248-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0018?
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What is the minimum amount of K248-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0018
  • 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 K248-0018 available by request