C998-0210 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-3,5-dimethylanilino]acetamide

C998-0210 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-3,5-dimethylanilino]acetamide
C998-0210 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-3,5-dimethylanilino]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C998-0210
N~1~-(5-chloro-2-methoxyphenyl)-2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-3,5-dimethylanilino]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

C998-0210

Molecular Formula

C22H24ClN3O4S2 (C22 H24 ClN3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(N(CC(Nc(cc(cc2)Cl)c2OC)=O)C2=NC(CS(C3)(=O)=O)C3S2)cc(C)c1

InChI

InChI=1S/C22H24ClN3O4S2/c1-13-6-14(2)8-16(7-13)26(22-25-18-11-32(28,29)12-20(18)31-22)10-21(27)24-17-9-15(23)4-5-19(17)30-3/h4-9,18,20H,10-12H2,1-3H3,(H,24,27)

InChI Key

LJXSMWLUTVHPAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.04

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

4.106

Distribution Coefficient, logD

4.099

Water Solubility, LogSw

-4.48

Polar Surface Area

70.097

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with C998-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C998-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C998-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C998-0210
  • 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 C998-0210 available by request