4358-6168 Screening compound: ethyl 7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

4358-6168 Screening compound: ethyl 7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate
4358-6168 Screening compound: ethyl 7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-6168
ethyl 7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,3,4]tetrazolo[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

4358-6168

Molecular Formula

C20H19N5O3 (C20 H19 N5 O3)

Compound Name

ethyl 7-(4-methoxyphenyl)-5-phenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 7-(4-methoxyphenyl)-5-phenyl-4H7H-[1234]tetrazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(c2ccccc2)Nc2nnnn2C1c(cc1)ccc1OC)=O

InChI

InChI=1S/C20H19N5O3/c1-3-28-19(26)16-17(13-7-5-4-6-8-13)21-20-22-23-24-25(20)18(16)14-9-11-15(27-2)12-10-14/h4-12,18H,3H2,1-2H3,(H,21,22,24)/t18-/m0/s1

InChI Key

DOZHTPDPUNSDHB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02370569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.417

Distribution Coefficient, logD

0.973

Water Solubility, LogSw

-3.44

Polar Surface Area

80.994

Acid Dissociation Constant (pKa)

4.96

Base Dissociation Constant (pKb)

-7.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

4358-6168 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 4358-6168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-6168?
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What is the minimum amount of 4358-6168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-6168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-6168
  • 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 4358-6168 available by request