7213-0616 Screening compound: ethyl 4-cyano-5-[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2-carboxylate

7213-0616 Screening compound: ethyl 4-cyano-5-[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2-carboxylate
7213-0616 Screening compound: ethyl 4-cyano-5-[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0616
ethyl 4-cyano-5-[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2-carboxylate

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

7213-0616

Molecular Formula

C17H14F2N6O3S (C17 H14 F2 N6 O3 S)

Compound Name

ethyl 4-cyano-5-[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2-carboxylate

IUPAC name

ethyl 4-cyano-5-[7-(difluoromethyl)-5-methyl-[124]triazolo[15-a]pyrimidine-2-amido]-3-methylthiophene-2-carboxylate

SMILES

CCOC(c1c(C)c(C#N)c(NC(c2nn3c(C(F)F)cc(C)nc3n2)=O)s1)=O

InChI

InChI=1S/C17H14F2N6O3S/c1-4-28-16(27)11-8(3)9(6-20)15(29-11)23-14(26)13-22-17-21-7(2)5-10(12(18)19)25(17)24-13/h5,12H,4H2,1-3H3,(H,23,26)

InChI Key

RYQYNYALJWHZRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02243409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.982

Distribution Coefficient, logD

0.314

Water Solubility, LogSw

-2.74

Polar Surface Area

90.554

Acid Dissociation Constant (pKa)

5.74

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

7213-0616 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7213-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0616?
Check Price and Availability of 7213-0616, 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 7213-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0616
  • 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 7213-0616 available by request