C301-9518 Screening compound: 2-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-amine

C301-9518 Screening compound: 2-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-amine
C301-9518 Screening compound: 2-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9518
2-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-amine

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

C301-9518

Molecular Formula

C22H19ClFN5 (C22 H19 ClFN5)

Compound Name

2-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-amine

IUPAC name

2-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)-5H6H7H8H-[124]triazolo[32-b]quinazolin-9-amine

SMILES

Fc1cccc(Nc2c(CCCC3)c3nc3nc(Cc(cc4)ccc4Cl)nn23)c1

InChI

InChI=1S/C22H19ClFN5/c23-15-10-8-14(9-11-15)12-20-27-22-26-19-7-2-1-6-18(19)21(29(22)28-20)25-17-5-3-4-16(24)13-17/h3-5,8-11,13,25H,1-2,6-7,12H2

InChI Key

ZRGDUPABMPWBII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.485

Distribution Coefficient, logD

5.485

Water Solubility, LogSw

-6.12

Polar Surface Area

42.884

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C301-9518 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C301-9518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9518?
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What is the minimum amount of C301-9518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9518
  • 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 C301-9518 available by request