C685-0262 Screening compound: 2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}-N~1~-(4-fluorophenyl)acetamide

C685-0262 Screening compound: 2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}-N~1~-(4-fluorophenyl)acetamide
C685-0262 Screening compound: 2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}-N~1~-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0262
2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}-N~1~-(4-fluorophenyl)acetamide

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

C685-0262

Molecular Formula

C19H18FN3O3S2 (C19 H18 FN3 O3 S2)

Compound Name

2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}-N~1~-(4-fluorophenyl)acetamide

IUPAC name

2-[4-({55-dioxo-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazol-2-yl}amino)phenyl]-N-(4-fluorophenyl)acetamide

SMILES

O=C(Cc(cc1)ccc1NC1=NC(CS(C2)(=O)=O)C2S1)Nc(cc1)ccc1F

InChI

InChI=1S/C19H18FN3O3S2/c20-13-3-7-14(8-4-13)21-18(24)9-12-1-5-15(6-2-12)22-19-23-16-10-28(25,26)11-17(16)27-19/h1-8,16-17H,9-11H2,(H,21,24)(H,22,23)

InChI Key

LTUBKZYAUCCYGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.354

Distribution Coefficient, logD

2.354

Water Solubility, LogSw

-2.96

Polar Surface Area

70.219

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

C685-0262 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C685-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0262?
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What is the minimum amount of C685-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0262
  • 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 C685-0262 available by request