C685-0106 Screening compound: 3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(1-methyl-3-phenylpropyl)benzamide

C685-0106 Screening compound: 3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(1-methyl-3-phenylpropyl)benzamide
C685-0106 Screening compound: 3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(1-methyl-3-phenylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0106
3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(1-methyl-3-phenylpropyl)benzamide

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

C685-0106

Molecular Formula

C22H25N3O3S2 (C22 H25 N3 O3 S2)

Compound Name

3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(1-methyl-3-phenylpropyl)benzamide

IUPAC name

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

SMILES

CC(CCc1ccccc1)NC(c1cccc(NC2=NC(CS(C3)(=O)=O)C3S2)c1)=O

InChI

InChI=1S/C22H25N3O3S2/c1-15(10-11-16-6-3-2-4-7-16)23-21(26)17-8-5-9-18(12-17)24-22-25-19-13-30(27,28)14-20(19)29-22/h2-9,12,15,19-20H,10-11,13-14H2,1H3,(H,23,26)(H,24,25)

InChI Key

AGMBRVYXCZSWBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.161

Distribution Coefficient, logD

3.161

Water Solubility, LogSw

-3.69

Polar Surface Area

71.196

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with C685-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0106?
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What is the minimum amount of C685-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0106
  • 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 C685-0106 available by request