C685-0570 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-methoxypropyl)-4-methylbenzamide

C685-0570 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-methoxypropyl)-4-methylbenzamide
C685-0570 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-methoxypropyl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0570
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-methoxypropyl)-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

C685-0570

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-methoxypropyl)-4-methylbenzamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H23N3O4S2/c1-11-4-5-12(16(21)18-6-3-7-24-2)8-13(11)19-17-20-14-9-26(22,23)10-15(14)25-17/h4-5,8,14-15H,3,6-7,9-10H2,1-2H3,(H,18,21)(H,19,20)

InChI Key

LBRPLUNFOHAQBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782917

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

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.165

Distribution Coefficient, logD

1.165

Water Solubility, LogSw

-2.26

Polar Surface Area

79.513

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with C685-0570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0570?
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What is the minimum amount of C685-0570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0570
  • 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 C685-0570 available by request