C685-0503 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-furylmethyl)-4-methylbenzamide

C685-0503 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-furylmethyl)-4-methylbenzamide
C685-0503 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-furylmethyl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0503
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-furylmethyl)-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

C685-0503

Molecular Formula

C18H19N3O4S2 (C18 H19 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~-(2-furylmethyl)-4-methylbenzamide

IUPAC name

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

SMILES

Cc(ccc(C(NCc1ccco1)=O)c1)c1NC1=NC(CS(C2)(=O)=O)C2S1

InChI

InChI=1S/C18H19N3O4S2/c1-11-4-5-12(17(22)19-8-13-3-2-6-25-13)7-14(11)20-18-21-15-9-27(23,24)10-16(15)26-18/h2-7,15-16H,8-10H2,1H3,(H,19,22)(H,20,21)

InChI Key

ZTFNWTYSHPPNHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.224

Distribution Coefficient, logD

2.224

Water Solubility, LogSw

-2.84

Polar Surface Area

78.806

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C685-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0503?
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What is the minimum amount of C685-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0503
  • 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 C685-0503 available by request