D718-1040 Screening compound: 7-(5-chloro-2-methoxyphenyl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

D718-1040 Screening compound: 7-(5-chloro-2-methoxyphenyl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
D718-1040 Screening compound: 7-(5-chloro-2-methoxyphenyl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1040
7-(5-chloro-2-methoxyphenyl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-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

D718-1040

Molecular Formula

C16H9ClF3N5O2 (C16 H9 ClF3 N5 O2)

Compound Name

7-(5-chloro-2-methoxyphenyl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

IUPAC name

11-(5-chloro-2-methoxyphenyl)-4-(trifluoromethyl)-235711-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

COc(ccc(Cl)c1)c1N(C=Cc1c2cnc3nc(C(F)(F)F)nn13)C2=O

InChI

InChI=1S/C16H9ClF3N5O2/c1-27-12-3-2-8(17)6-11(12)24-5-4-10-9(13(24)26)7-21-15-22-14(16(18,19)20)23-25(10)15/h2-7H,1H3

InChI Key

BYMHRQMEJWIYSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13372354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.635

Distribution Coefficient, logD

2.635

Water Solubility, LogSw

-3.27

Polar Surface Area

57.692

Acid Dissociation Constant (pKa)

32.90

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D718-1040 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D718-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1040?
Check Price and Availability of D718-1040, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D718-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1040
  • 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 D718-1040 available by request