C685-0312 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~-pentylacetamide

C685-0312 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~-pentylacetamide
C685-0312 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~-pentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0312
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~-pentylacetamide

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

C685-0312

Molecular Formula

C18H25N3O3S2 (C18 H25 N3 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~-pentylacetamide

IUPAC name

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

SMILES

CCCCCNC(Cc(cc1)ccc1NC1=NC(CS(C2)(=O)=O)C2S1)=O

InChI

InChI=1S/C18H25N3O3S2/c1-2-3-4-9-19-17(22)10-13-5-7-14(8-6-13)20-18-21-15-11-26(23,24)12-16(15)25-18/h5-8,15-16H,2-4,9-12H2,1H3,(H,19,22)(H,20,21)

InChI Key

XNTFIHSADORRKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.070

Distribution Coefficient, logD

2.070

Water Solubility, LogSw

-2.90

Polar Surface Area

71.655

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with C685-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0312?
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What is the minimum amount of C685-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0312
  • 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 C685-0312 available by request