C685-0123 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~-(2-ethylhexyl)benzamide

C685-0123 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~-(2-ethylhexyl)benzamide
C685-0123 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~-(2-ethylhexyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0123
3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(2-ethylhexyl)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

C685-0123

Molecular Formula

C20H29N3O3S2 (C20 H29 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~-(2-ethylhexyl)benzamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H29N3O3S2/c1-3-5-7-14(4-2)11-21-19(24)15-8-6-9-16(10-15)22-20-23-17-12-28(25,26)13-18(17)27-20/h6,8-10,14,17-18H,3-5,7,11-13H2,1-2H3,(H,21,24)(H,22,23)

InChI Key

YNBYHKXNIFXAQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.072

Distribution Coefficient, logD

4.072

Water Solubility, LogSw

-4.10

Polar Surface Area

72.026

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with C685-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0123?
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What is the minimum amount of C685-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0123
  • 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 C685-0123 available by request