C685-0399 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~-[3-(methylsulfanyl)phenyl]acetamide

C685-0399 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~-[3-(methylsulfanyl)phenyl]acetamide
C685-0399 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~-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0399
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~-[3-(methylsulfanyl)phenyl]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

C685-0399

Molecular Formula

C20H21N3O3S3 (C20 H21 N3 O3 S3)

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~-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

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

SMILES

CSc1cccc(NC(Cc(cc2)ccc2NC2=NC(CS(C3)(=O)=O)C3S2)=O)c1

InChI

InChI=1S/C20H21N3O3S3/c1-27-16-4-2-3-15(10-16)21-19(24)9-13-5-7-14(8-6-13)22-20-23-17-11-29(25,26)12-18(17)28-20/h2-8,10,17-18H,9,11-12H2,1H3,(H,21,24)(H,22,23)

InChI Key

BJTCETUZZUTUHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.786

Distribution Coefficient, logD

2.786

Water Solubility, LogSw

-3.54

Polar Surface Area

70.219

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with C685-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0399?
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What is the minimum amount of C685-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0399
  • 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 C685-0399 available by request