C685-0024 Screening compound: N~1~-(3,4-dimethylphenyl)-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide

C685-0024 Screening compound: N~1~-(3,4-dimethylphenyl)-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide
C685-0024 Screening compound: N~1~-(3,4-dimethylphenyl)-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0024
N~1~-(3,4-dimethylphenyl)-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]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

C685-0024

Molecular Formula

C20H21N3O3S2 (C20 H21 N3 O3 S2)

Compound Name

N~1~-(3,4-dimethylphenyl)-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1NC(c1cccc(NC2=NC(CS(C3)(=O)=O)C3S2)c1)=O

InChI

InChI=1S/C20H21N3O3S2/c1-12-6-7-16(8-13(12)2)21-19(24)14-4-3-5-15(9-14)22-20-23-17-10-28(25,26)11-18(17)27-20/h3-9,17-18H,10-11H2,1-2H3,(H,21,24)(H,22,23)

InChI Key

GBDPBKRVHXVCKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.725

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-3.91

Polar Surface Area

70.433

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

C685-0024 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C685-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0024?
Check Price and Availability of C685-0024, 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 C685-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0024
  • 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 C685-0024 available by request