8009-2255 Screening compound: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

8009-2255 Screening compound: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
8009-2255 Screening compound: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2255
2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]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

8009-2255

Molecular Formula

C16H10F3N3O3S2 (C16 H10 F3 N3 O3 S2)

Compound Name

2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[(6-nitro-13-benzothiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

[O-][N+](c(cc1)cc2c1nc(SCC(Nc1cc(C(F)(F)F)ccc1)=O)s2)=O

InChI

InChI=1S/C16H10F3N3O3S2/c17-16(18,19)9-2-1-3-10(6-9)20-14(23)8-26-15-21-12-5-4-11(22(24)25)7-13(12)27-15/h1-7H,8H2,(H,20,23)

InChI Key

MHKZRNJPDBQRDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00760536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.135

Distribution Coefficient, logD

5.135

Water Solubility, LogSw

-5.51

Polar Surface Area

65.579

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8009-2255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2255?
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What is the minimum amount of 8009-2255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2255
  • 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 8009-2255 available by request