8013-4412 Screening compound: methyl 6-benzoyl-5-(3,4-dimethoxyphenyl)-4H,5H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-7-carboxylate

8013-4412 Screening compound: methyl 6-benzoyl-5-(3,4-dimethoxyphenyl)-4H,5H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-7-carboxylate
8013-4412 Screening compound: methyl 6-benzoyl-5-(3,4-dimethoxyphenyl)-4H,5H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4412
methyl 6-benzoyl-5-(3,4-dimethoxyphenyl)-4H,5H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-7-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

8013-4412

Molecular Formula

C21H19N5O5 (C21 H19 N5 O5)

Compound Name

methyl 6-benzoyl-5-(3,4-dimethoxyphenyl)-4H,5H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-7-carboxylate

IUPAC name

methyl 6-benzoyl-5-(34-dimethoxyphenyl)-4H5H-[1234]tetrazolo[15-a]pyrimidine-7-carboxylate

SMILES

COC(C(n1nnnc1NC1c(cc2)cc(OC)c2OC)=C1C(c1ccccc1)=O)=O

InChI

InChI=1S/C21H19N5O5/c1-29-14-10-9-13(11-15(14)30-2)17-16(19(27)12-7-5-4-6-8-12)18(20(28)31-3)26-21(22-17)23-24-25-26/h4-11,17H,1-3H3,(H,22,23,25)/t17-/m1/s1

InChI Key

YKOUOUURKCEEMA-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03766593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.398

Distribution Coefficient, logD

2.398

Water Solubility, LogSw

-2.97

Polar Surface Area

103.758

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

-13.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

8013-4412 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8013-4412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4412?
Check Price and Availability of 8013-4412, 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 8013-4412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4412
  • 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 8013-4412 available by request