C685-0306 Screening compound: N~1~-benzyl-2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}acetamide

C685-0306 Screening compound: N~1~-benzyl-2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}acetamide
C685-0306 Screening compound: N~1~-benzyl-2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0306
N~1~-benzyl-2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}acetamide

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

C685-0306

Molecular Formula

C20H21N3O3S2 (C20 H21 N3 O3 S2)

Compound Name

N~1~-benzyl-2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}acetamide

IUPAC name

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

SMILES

O=C(Cc(cc1)ccc1NC1=NC(CS(C2)(=O)=O)C2S1)NCc1ccccc1

InChI

InChI=1S/C20H21N3O3S2/c24-19(21-11-15-4-2-1-3-5-15)10-14-6-8-16(9-7-14)22-20-23-17-12-28(25,26)13-18(17)27-20/h1-9,17-18H,10-13H2,(H,21,24)(H,22,23)

InChI Key

NLPYTMBOGARXGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782849

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

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.988

Distribution Coefficient, logD

1.988

Water Solubility, LogSw

-2.55

Polar Surface Area

71.541

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

C685-0306 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 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 C685-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0306?
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What is the minimum amount of C685-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0306
  • 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 C685-0306 available by request