C685-0110 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~-(3-ethoxypropyl)benzamide

C685-0110 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~-(3-ethoxypropyl)benzamide
C685-0110 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~-(3-ethoxypropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0110
3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(3-ethoxypropyl)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

C685-0110

Molecular Formula

C17H23N3O4S2 (C17 H23 N3 O4 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~-(3-ethoxypropyl)benzamide

IUPAC name

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

SMILES

CCOCCCNC(c1cccc(NC2=NC(CS(C3)(=O)=O)C3S2)c1)=O

InChI

InChI=1S/C17H23N3O4S2/c1-2-24-8-4-7-18-16(21)12-5-3-6-13(9-12)19-17-20-14-10-26(22,23)11-15(14)25-17/h3,5-6,9,14-15H,2,4,7-8,10-11H2,1H3,(H,18,21)(H,19,20)

InChI Key

FNKRMKZDYYRLBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.399

Distribution Coefficient, logD

1.399

Water Solubility, LogSw

-2.38

Polar Surface Area

79.845

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

C685-0110 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C685-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0110?
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What is the minimum amount of C685-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0110
  • 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 C685-0110 available by request