K248-0165 Screening compound: 2-(4-{[4-(2-methoxyphenyl)piperazino]carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

K248-0165 Screening compound: 2-(4-{[4-(2-methoxyphenyl)piperazino]carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
K248-0165 Screening compound: 2-(4-{[4-(2-methoxyphenyl)piperazino]carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K248-0165
2-(4-{[4-(2-methoxyphenyl)piperazino]carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

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

K248-0165

Molecular Formula

C23H26N4O4S2 (C23 H26 N4 O4 S2)

Compound Name

2-(4-{[4-(2-methoxyphenyl)piperazino]carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

IUPAC name

2-({4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}amino)-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazole-55-dione

SMILES

COc(cccc1)c1N(CC1)CCN1C(c(cc1)ccc1NC1=NC(CS(C2)(=O)=O)C2S1)=O

InChI

InChI=1S/C23H26N4O4S2/c1-31-20-5-3-2-4-19(20)26-10-12-27(13-11-26)22(28)16-6-8-17(9-7-16)24-23-25-18-14-33(29,30)15-21(18)32-23/h2-9,18,21H,10-15H2,1H3,(H,24,25)

InChI Key

KERPDBCZXKIVQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.154

Distribution Coefficient, logD

2.153

Water Solubility, LogSw

-2.74

Polar Surface Area

74.580

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

K248-0165 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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

References: we are preparing a list of scientific research reports with K248-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0165?
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What is the minimum amount of K248-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0165
  • 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 K248-0165 available by request