K248-0064 Screening compound: 2-(4-{[4-(2-pyridyl)piperazino]carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

K248-0064 Screening compound: 2-(4-{[4-(2-pyridyl)piperazino]carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
K248-0064 Screening compound: 2-(4-{[4-(2-pyridyl)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 K248-0064
2-(4-{[4-(2-pyridyl)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

K248-0064

Molecular Formula

C21H23N5O3S2 (C21 H23 N5 O3 S2)

Compound Name

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

SMILES

O=C(c(cc1)ccc1NC1=NC(CS(C2)(=O)=O)C2S1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C21H23N5O3S2/c27-20(26-11-9-25(10-12-26)19-3-1-2-8-22-19)15-4-6-16(7-5-15)23-21-24-17-13-31(28,29)14-18(17)30-21/h1-8,17-18H,9-14H2,(H,23,24)

InChI Key

AUOGUUWZTRHINU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.820

Distribution Coefficient, logD

1.812

Water Solubility, LogSw

-2.43

Polar Surface Area

75.761

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

K248-0064 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K248-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0064?
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What is the minimum amount of K248-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0064
  • 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 K248-0064 available by request