C685-0074 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~-(4-methoxybenzyl)benzamide

C685-0074 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~-(4-methoxybenzyl)benzamide
C685-0074 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~-(4-methoxybenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0074
3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(4-methoxybenzyl)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

C685-0074

Molecular Formula

C20H21N3O4S2 (C20 H21 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~-(4-methoxybenzyl)benzamide

IUPAC name

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

SMILES

COc1ccc(CNC(c2cccc(NC3=NC(CS(C4)(=O)=O)C4S3)c2)=O)cc1

InChI

InChI=1S/C20H21N3O4S2/c1-27-16-7-5-13(6-8-16)10-21-19(24)14-3-2-4-15(9-14)22-20-23-17-11-29(25,26)12-18(17)28-20/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)

InChI Key

LWQFUZHWEAAJQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05717986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.386

Distribution Coefficient, logD

2.386

Water Solubility, LogSw

-3.03

Polar Surface Area

79.299

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

C685-0074 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C685-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0074?
Check Price and Availability of C685-0074, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C685-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0074
  • 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 C685-0074 available by request