3214-0052 Screening compound: 6,7-dichloro-2-(4-fluoro-3-nitrophenyl)-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

3214-0052 Screening compound: 6,7-dichloro-2-(4-fluoro-3-nitrophenyl)-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one
3214-0052 Screening compound: 6,7-dichloro-2-(4-fluoro-3-nitrophenyl)-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3214-0052
6,7-dichloro-2-(4-fluoro-3-nitrophenyl)-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

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

3214-0052

Molecular Formula

C13H7Cl2FN4O4 (C13 H7 Cl2 FN4 O4)

Compound Name

6,7-dichloro-2-(4-fluoro-3-nitrophenyl)-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

IUPAC name

67-dichloro-2-(4-fluoro-3-nitrophenyl)-1-hydroxy-1234-tetrahydro-124-benzotriazin-3-one

SMILES

[O-][N+](c(cc(cc1)N(C(Nc(c2c3)cc(Cl)c3Cl)=O)N2O)c1F)=O

InChI

InChI=1S/C13H7Cl2FN4O4/c14-7-4-10-12(5-8(7)15)19(22)18(13(21)17-10)6-1-2-9(16)11(3-6)20(23)24/h1-5,22H,(H,17,21)

InChI Key

BFJLKPCCPXGPAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.13

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.663

Distribution Coefficient, logD

3.366

Water Solubility, LogSw

-3.94

Polar Surface Area

81.695

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

-6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3214-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3214-0052?
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What is the minimum amount of 3214-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3214-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3214-0052
  • 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 3214-0052 available by request