3214-0066 Screening compound: 6,7-dichloro-1-hydroxy-2-(2-methyl-5-nitrophenyl)-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

3214-0066 Screening compound: 6,7-dichloro-1-hydroxy-2-(2-methyl-5-nitrophenyl)-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one
3214-0066 Screening compound: 6,7-dichloro-1-hydroxy-2-(2-methyl-5-nitrophenyl)-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3214-0066
6,7-dichloro-1-hydroxy-2-(2-methyl-5-nitrophenyl)-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

3214-0066

Molecular Formula

C14H10Cl2N4O4 (C14 H10 Cl2 N4 O4)

Compound Name

6,7-dichloro-1-hydroxy-2-(2-methyl-5-nitrophenyl)-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

IUPAC name

67-dichloro-1-hydroxy-2-(2-methyl-5-nitrophenyl)-1234-tetrahydro-124-benzotriazin-3-one

SMILES

Cc(ccc([N+]([O-])=O)c1)c1N(C(Nc(c1c2)cc(Cl)c2Cl)=O)N1O

InChI

InChI=1S/C14H10Cl2N4O4/c1-7-2-3-8(20(23)24)4-12(7)18-14(21)17-11-5-9(15)10(16)6-13(11)19(18)22/h2-6,22H,1H3,(H,17,21)

InChI Key

GJHDGHYJECIZDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.16

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

4.213

Distribution Coefficient, logD

3.570

Water Solubility, LogSw

-4.43

Polar Surface Area

81.695

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 3214-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3214-0066?
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What is the minimum amount of 3214-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3214-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3214-0066
  • 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 3214-0066 available by request