C685-0670 Screening compound: 2-(2-methyl-5-{[4-(2-pyrimidinyl)piperazino]carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

C685-0670 Screening compound: 2-(2-methyl-5-{[4-(2-pyrimidinyl)piperazino]carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
C685-0670 Screening compound: 2-(2-methyl-5-{[4-(2-pyrimidinyl)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 C685-0670
2-(2-methyl-5-{[4-(2-pyrimidinyl)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

C685-0670

Molecular Formula

C21H24N6O3S2 (C21 H24 N6 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(C(N(CC1)CCN1c1ncccn1)=O)c1)c1NC1=NC(CS(C2)(=O)=O)C2S1

InChI

InChI=1S/C21H24N6O3S2/c1-14-3-4-15(11-16(14)24-21-25-17-12-32(29,30)13-18(17)31-21)19(28)26-7-9-27(10-8-26)20-22-5-2-6-23-20/h2-6,11,17-18H,7-10,12-13H2,1H3,(H,24,25)

InChI Key

UDJSATOHPPBARG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.604

Distribution Coefficient, logD

1.604

Water Solubility, LogSw

-2.57

Polar Surface Area

84.915

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

C685-0670 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C685-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0670?
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What is the minimum amount of C685-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0670
  • 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 C685-0670 available by request