C998-0371 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-4-methoxyanilino]acetamide

C998-0371 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-4-methoxyanilino]acetamide
C998-0371 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-4-methoxyanilino]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C998-0371
N~1~-(3,4-dimethylphenyl)-2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-4-methoxyanilino]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

C998-0371

Molecular Formula

C22H25N3O4S2 (C22 H25 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1NC(CN(C1=NC(CS(C2)(=O)=O)C2S1)c(cc1)ccc1OC)=O

InChI

InChI=1S/C22H25N3O4S2/c1-14-4-5-16(10-15(14)2)23-21(26)11-25(17-6-8-18(29-3)9-7-17)22-24-19-12-31(27,28)13-20(19)30-22/h4-10,19-20H,11-13H2,1-3H3,(H,23,26)

InChI Key

AWJGGVNCTCRRDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.837

Distribution Coefficient, logD

3.837

Water Solubility, LogSw

-3.98

Polar Surface Area

70.708

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

C998-0371 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with C998-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C998-0371?
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What is the minimum amount of C998-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C998-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C998-0371
  • 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 C998-0371 available by request