C998-1060 Screening compound: 2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-2-fluoroanilino]-N~1~-(4-fluorophenyl)acetamide

C998-1060 Screening compound: 2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-2-fluoroanilino]-N~1~-(4-fluorophenyl)acetamide
C998-1060 Screening compound: 2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-2-fluoroanilino]-N~1~-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C998-1060
2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-2-fluoroanilino]-N~1~-(4-fluorophenyl)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

C998-1060

Molecular Formula

C19H17F2N3O3S2 (C19 H17 F2 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C1=NC(CS(C2)(=O)=O)C2S1)c(cccc1)c1F)Nc(cc1)ccc1F

InChI

InChI=1S/C19H17F2N3O3S2/c20-12-5-7-13(8-6-12)22-18(25)9-24(16-4-2-1-3-14(16)21)19-23-15-10-29(26,27)11-17(15)28-19/h1-8,15,17H,9-11H2,(H,22,25)

InChI Key

MAIINYUFWDRJTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.873

Distribution Coefficient, logD

2.873

Water Solubility, LogSw

-3.48

Polar Surface Area

62.864

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with C998-1060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C998-1060?
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What is the minimum amount of C998-1060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C998-1060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C998-1060
  • 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 C998-1060 available by request