C710-0015 Screening compound: 2-[4-chloro-3-(trifluoromethyl)phenyl]-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

C710-0015 Screening compound: 2-[4-chloro-3-(trifluoromethyl)phenyl]-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one
C710-0015 Screening compound: 2-[4-chloro-3-(trifluoromethyl)phenyl]-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C710-0015
2-[4-chloro-3-(trifluoromethyl)phenyl]-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

C710-0015

Molecular Formula

C14H9ClF3N3O2 (C14 H9 ClF3 N3 O2)

Compound Name

2-[4-chloro-3-(trifluoromethyl)phenyl]-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

IUPAC name

2-[4-chloro-3-(trifluoromethyl)phenyl]-1-hydroxy-1234-tetrahydro-124-benzotriazin-3-one

SMILES

ON(c(cccc1)c1N1)N(c(cc2)cc(C(F)(F)F)c2Cl)C1=O

InChI

InChI=1S/C14H9ClF3N3O2/c15-10-6-5-8(7-9(10)14(16,17)18)20-13(22)19-11-3-1-2-4-12(11)21(20)23/h1-7,23H,(H,19,22)

InChI Key

LKDPNXGKEOBLJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.69

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.710

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-4.10

Polar Surface Area

48.615

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

C710-0015 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C710-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C710-0015?
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What is the minimum amount of C710-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C710-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C710-0015
  • 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 C710-0015 available by request