C202-3698 Screening compound: (5Z)-9-phenyl-5-(phenylmethylidene)-4H,5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[5,1-b]quinazoline

C202-3698 Screening compound: (5Z)-9-phenyl-5-(phenylmethylidene)-4H,5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[5,1-b]quinazoline
C202-3698 Screening compound: (5Z)-9-phenyl-5-(phenylmethylidene)-4H,5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[5,1-b]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3698
(5Z)-9-phenyl-5-(phenylmethylidene)-4H,5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[5,1-b]quinazoline

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

C202-3698

Molecular Formula

C21H19N5 (C21 H19 N5)

Compound Name

(5Z)-9-phenyl-5-(phenylmethylidene)-4H,5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[5,1-b]quinazoline

IUPAC name

(5Z)-9-phenyl-5-(phenylmethylidene)-4H5H6H7H8H9H-[1234]tetrazolo[51-b]quinazoline

SMILES

C(CC1=C2Nc3nnnn3C1c1ccccc1)C/C2=C/c1ccccc1

InChI

InChI=1S/C21H19N5/c1-3-8-15(9-4-1)14-17-12-7-13-18-19(17)22-21-23-24-25-26(21)20(18)16-10-5-2-6-11-16/h1-6,8-11,14,20H,7,12-13H2,(H,22,23,25)/t20-/m1/s1

InChI Key

YFPVJSRYLLCUBY-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD26963407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.400

Distribution Coefficient, logD

4.400

Water Solubility, LogSw

-4.50

Polar Surface Area

52.673

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

C202-3698 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C202-3698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3698?
Check Price and Availability of C202-3698, 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 C202-3698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3698
  • 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 C202-3698 available by request