C316-0102 Screening compound: ethyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C316-0102 Screening compound: ethyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C316-0102 Screening compound: ethyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C316-0102
ethyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-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

C316-0102

Molecular Formula

C22H20ClFN4O2S (C22 H20 ClFN4 O2 S)

Compound Name

ethyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)Nc2nc(SCc(cc3)ccc3Cl)nn2C1c(cc1)ccc1F)=O

InChI

InChI=1S/C22H20ClFN4O2S/c1-3-30-20(29)18-13(2)25-21-26-22(31-12-14-4-8-16(23)9-5-14)27-28(21)19(18)15-6-10-17(24)11-7-15/h4-11,19H,3,12H2,1-2H3,(H,25,26,27)/t19-/m0/s1

InChI Key

QEIBWFFFDZXVQX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14748263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.240

Distribution Coefficient, logD

5.139

Water Solubility, LogSw

-5.86

Polar Surface Area

56.253

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

C316-0102 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C316-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C316-0102?
Check Price and Availability of C316-0102, 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 C316-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C316-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C316-0102
  • 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 C316-0102 available by request