C685-0578 Screening compound: 3-{[(3aS,6aS)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N~1~-cyclopentyl-4-methylbenzamide

C685-0578 Screening compound: 3-{[(3aS,6aS)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N~1~-cyclopentyl-4-methylbenzamide
C685-0578 Screening compound: 3-{[(3aS,6aS)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N~1~-cyclopentyl-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0578
3-{[(3aS,6aS)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N~1~-cyclopentyl-4-methylbenzamide

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

C685-0578

Molecular Formula

C18H23N3O3S2 (C18 H23 N3 O3 S2)

Compound Name

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

IUPAC name

3-{[(3aS6aS)-55-dioxo-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazol-2-yl]amino}-N-cyclopentyl-4-methylbenzamide

SMILES

Cc(ccc(C(NC1CCCC1)=O)c1)c1NC1=N[C@H](CS(C2)(=O)=O)[C@H]2S1

InChI

InChI=1S/C18H23N3O3S2/c1-11-6-7-12(17(22)19-13-4-2-3-5-13)8-14(11)20-18-21-15-9-26(23,24)10-16(15)25-18/h6-8,13,15-16H,2-5,9-10H2,1H3,(H,19,22)(H,20,21)/t15-,16+/m0/s1

InChI Key

WCZTULSWLIMXDP-JKSUJKDBSA-N

MDL Number (MFCD)

MFCD14782921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.350

Distribution Coefficient, logD

2.350

Water Solubility, LogSw

-2.87

Polar Surface Area

71.148

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

References: we are preparing a list of scientific research reports with C685-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0578?
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What is the minimum amount of C685-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0578
  • 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 C685-0578 available by request