C685-0146 Screening compound: N~1~-(3,5-dimethoxyphenyl)-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide

C685-0146 Screening compound: N~1~-(3,5-dimethoxyphenyl)-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide
C685-0146 Screening compound: N~1~-(3,5-dimethoxyphenyl)-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 C685-0146
N~1~-(3,5-dimethoxyphenyl)-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

C685-0146

Molecular Formula

C20H21N3O5S2 (C20 H21 N3 O5 S2)

Compound Name

N~1~-(3,5-dimethoxyphenyl)-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-(35-dimethoxyphenyl)-3-({55-dioxo-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazol-2-yl}amino)benzamide

SMILES

COc1cc(NC(c2cccc(NC3=NC(CS(C4)(=O)=O)C4S3)c2)=O)cc(OC)c1

InChI

InChI=1S/C20H21N3O5S2/c1-27-15-7-14(8-16(9-15)28-2)21-19(24)12-4-3-5-13(6-12)22-20-23-17-10-30(25,26)11-18(17)29-20/h3-9,17-18H,10-11H2,1-2H3,(H,21,24)(H,22,23)

InChI Key

QKCNHAZIYLQCIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.876

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-3.61

Polar Surface Area

85.520

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with C685-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0146?
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What is the minimum amount of C685-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0146
  • 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 C685-0146 available by request