C998-0370 Screening compound: 2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-4-methoxyanilino]-N~1~-(3-methyl-1H-pyrazol-5-yl)acetamide

C998-0370 Screening compound: 2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-4-methoxyanilino]-N~1~-(3-methyl-1H-pyrazol-5-yl)acetamide
C998-0370 Screening compound: 2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-4-methoxyanilino]-N~1~-(3-methyl-1H-pyrazol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C998-0370
2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-4-methoxyanilino]-N~1~-(3-methyl-1H-pyrazol-5-yl)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

C998-0370

Molecular Formula

C18H21N5O4S2 (C18 H21 N5 O4 S2)

Compound Name

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

IUPAC name

2-({55-dioxo-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazol-2-yl}(4-methoxyphenyl)amino)-N-(3-methyl-1H-pyrazol-5-yl)acetamide

SMILES

Cc1n[nH]c(NC(CN(C2=NC(CS(C3)(=O)=O)C3S2)c(cc2)ccc2OC)=O)c1

InChI

InChI=1S/C18H21N5O4S2/c1-11-7-16(22-21-11)20-17(24)8-23(12-3-5-13(27-2)6-4-12)18-19-14-9-29(25,26)10-15(14)28-18/h3-7,14-15H,8-10H2,1-2H3,(H2,20,21,22,24)

InChI Key

CXAXBRYHAGDYLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.318

Distribution Coefficient, logD

1.317

Water Solubility, LogSw

-2.50

Polar Surface Area

93.843

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.90

C998-0370 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C998-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C998-0370?
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What is the minimum amount of C998-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C998-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C998-0370
  • 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 C998-0370 available by request