C685-0520 Screening compound: N~1~-(3,5-dimethylphenyl)-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide

C685-0520 Screening compound: N~1~-(3,5-dimethylphenyl)-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide
C685-0520 Screening compound: N~1~-(3,5-dimethylphenyl)-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0520
N~1~-(3,5-dimethylphenyl)-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-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

C685-0520

Molecular Formula

C21H23N3O3S2 (C21 H23 N3 O3 S2)

Compound Name

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

IUPAC name

N-(35-dimethylphenyl)-3-({55-dioxo-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazol-2-yl}amino)-4-methylbenzamide

SMILES

Cc1cc(NC(c2cc(NC3=NC(CS(C4)(=O)=O)C4S3)c(C)cc2)=O)cc(C)c1

InChI

InChI=1S/C21H23N3O3S2/c1-12-6-13(2)8-16(7-12)22-20(25)15-5-4-14(3)17(9-15)23-21-24-18-10-29(26,27)11-19(18)28-21/h4-9,18-19H,10-11H2,1-3H3,(H,22,25)(H,23,24)

InChI Key

ILRKFRDAOAIARU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

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

3.500

Distribution Coefficient, logD

3.500

Water Solubility, LogSw

-3.77

Polar Surface Area

69.735

Acid Dissociation Constant (pKa)

11.43

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 C685-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0520?
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What is the minimum amount of C685-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0520
  • 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 C685-0520 available by request