C316-0014 Screening compound: ethyl 7-(4-methoxyphenyl)-5-methyl-2-[(2-methylpropyl)sulfanyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C316-0014 Screening compound: ethyl 7-(4-methoxyphenyl)-5-methyl-2-[(2-methylpropyl)sulfanyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C316-0014 Screening compound: ethyl 7-(4-methoxyphenyl)-5-methyl-2-[(2-methylpropyl)sulfanyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C316-0014
ethyl 7-(4-methoxyphenyl)-5-methyl-2-[(2-methylpropyl)sulfanyl]-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

C316-0014

Molecular Formula

C20H26N4O3S (C20 H26 N4 O3 S)

Compound Name

ethyl 7-(4-methoxyphenyl)-5-methyl-2-[(2-methylpropyl)sulfanyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 7-(4-methoxyphenyl)-5-methyl-2-[(2-methylpropyl)sulfanyl]-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)Nc2nc(SCC(C)C)nn2C1c(cc1)ccc1OC)=O

InChI

InChI=1S/C20H26N4O3S/c1-6-27-18(25)16-13(4)21-19-22-20(28-11-12(2)3)23-24(19)17(16)14-7-9-15(26-5)10-8-14/h7-10,12,17H,6,11H2,1-5H3,(H,21,22,23)/t17-/m0/s1

InChI Key

HLFLRELFUGVEET-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14748249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.588

Distribution Coefficient, logD

4.420

Water Solubility, LogSw

-4.29

Polar Surface Area

64.068

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

C316-0014 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C316-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C316-0014?
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What is the minimum amount of C316-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C316-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C316-0014
  • 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 C316-0014 available by request