C685-0233 Screening compound: 2-(3-{[4-(2-fluorophenyl)piperazino]carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

C685-0233 Screening compound: 2-(3-{[4-(2-fluorophenyl)piperazino]carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
C685-0233 Screening compound: 2-(3-{[4-(2-fluorophenyl)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 C685-0233
2-(3-{[4-(2-fluorophenyl)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

C685-0233

Molecular Formula

C22H23FN4O3S2 (C22 H23 FN4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(NC2=NC(CS(C3)(=O)=O)C3S2)c1)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C22H23FN4O3S2/c23-17-6-1-2-7-19(17)26-8-10-27(11-9-26)21(28)15-4-3-5-16(12-15)24-22-25-18-13-32(29,30)14-20(18)31-22/h1-7,12,18,20H,8-11,13-14H2,(H,24,25)

InChI Key

KCHVVJMOHYOZSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.548

Distribution Coefficient, logD

2.548

Water Solubility, LogSw

-3.06

Polar Surface Area

66.949

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with C685-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0233?
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What is the minimum amount of C685-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0233
  • 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 C685-0233 available by request