3651-6197 Screening compound: 3-[(5-bromo-2-fluorobenzyl)amino]-2-(4-methoxyphenyl)-4(3H)-quinazolinone

3651-6197 Screening compound: 3-[(5-bromo-2-fluorobenzyl)amino]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
3651-6197 Screening compound: 3-[(5-bromo-2-fluorobenzyl)amino]-2-(4-methoxyphenyl)-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3651-6197
3-[(5-bromo-2-fluorobenzyl)amino]-2-(4-methoxyphenyl)-4(3H)-quinazolinone

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

3651-6197

Molecular Formula

C22H17BrFN3O2 (C22 H17 BrFN3 O2)

Compound Name

3-[(5-bromo-2-fluorobenzyl)amino]-2-(4-methoxyphenyl)-4(3H)-quinazolinone

IUPAC name

3-{[(5-bromo-2-fluorophenyl)methyl]amino}-2-(4-methoxyphenyl)-34-dihydroquinazolin-4-one

SMILES

COc(cc1)ccc1C(N1NCc(cc(cc2)Br)c2F)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C22H17BrFN3O2/c1-29-17-9-6-14(7-10-17)21-26-20-5-3-2-4-18(20)22(28)27(21)25-13-15-12-16(23)8-11-19(15)24/h2-12,25H,13H2,1H3

InChI Key

GJWHORKOWOHOFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.181

Distribution Coefficient, logD

4.181

Water Solubility, LogSw

-4.33

Polar Surface Area

46.420

Acid Dissociation Constant (pKa)

25.90

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

3651-6197 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 3651-6197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3651-6197?
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What is the minimum amount of 3651-6197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3651-6197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3651-6197
  • 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 3651-6197 available by request