8017-8244 Screening compound: N-(3-fluorophenyl)-2-(6-nitro-3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetamide

8017-8244 Screening compound: N-(3-fluorophenyl)-2-(6-nitro-3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetamide
8017-8244 Screening compound: N-(3-fluorophenyl)-2-(6-nitro-3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8244
N-(3-fluorophenyl)-2-(6-nitro-3-oxo-2,3-dihydro-1,2-benzothiazol-2-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

8017-8244

Molecular Formula

C15H10FN3O4S (C15 H10 FN3 O4 S)

Compound Name

N-(3-fluorophenyl)-2-(6-nitro-3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetamide

IUPAC name

N-(3-fluorophenyl)-2-(6-nitro-3-oxo-23-dihydro-12-benzothiazol-2-yl)acetamide

SMILES

[O-][N+](c(cc1)cc(SN2CC(Nc3cc(F)ccc3)=O)c1C2=O)=O

InChI

InChI=1S/C15H10FN3O4S/c16-9-2-1-3-10(6-9)17-14(20)8-18-15(21)12-5-4-11(19(22)23)7-13(12)24-18/h1-7H,8H2,(H,17,20)

InChI Key

OVQMOQBGIRDWKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.968

Distribution Coefficient, logD

2.967

Water Solubility, LogSw

-3.41

Polar Surface Area

74.158

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

8017-8244 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-8244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8244?
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What is the minimum amount of 8017-8244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8244
  • 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 8017-8244 available by request