J093-0663 Screening compound: methyl 2-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-amido]benzoate

J093-0663 Screening compound: methyl 2-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-amido]benzoate
J093-0663 Screening compound: methyl 2-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0663
methyl 2-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-amido]benzoate

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

J093-0663

Molecular Formula

C19H12F3N5O4 (C19 H12 F3 N5 O4)

Compound Name

methyl 2-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-amido]benzoate

IUPAC name

methyl 2-[5-(furan-2-yl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-amido]benzoate

SMILES

COC(c(cccc1)c1NC(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2n1)=O)=O

InChI

InChI=1S/C19H12F3N5O4/c1-30-17(29)10-5-2-3-6-11(10)23-16(28)15-25-18-24-12(13-7-4-8-31-13)9-14(19(20,21)22)27(18)26-15/h2-9H,1H3,(H,23,28)

InChI Key

WVWZJRVITWQFIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.242

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.77

Polar Surface Area

81.927

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

J093-0663 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J093-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0663?
Check Price and Availability of J093-0663, 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 J093-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0663
  • 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 J093-0663 available by request