6228-1083 Screening compound: 3-amino-2-{3-[(2-bromophenoxy)methyl]phenyl}-3,4-dihydroquinazolin-4-one

6228-1083 Screening compound: 3-amino-2-{3-[(2-bromophenoxy)methyl]phenyl}-3,4-dihydroquinazolin-4-one
6228-1083 Screening compound: 3-amino-2-{3-[(2-bromophenoxy)methyl]phenyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1083
3-amino-2-{3-[(2-bromophenoxy)methyl]phenyl}-3,4-dihydroquinazolin-4-one

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

6228-1083

Molecular Formula

C21H16BrN3O2 (C21 H16 BrN3 O2)

Compound Name

3-amino-2-{3-[(2-bromophenoxy)methyl]phenyl}-3,4-dihydroquinazolin-4-one

IUPAC name

3-amino-2-{3-[(2-bromophenoxy)methyl]phenyl}-34-dihydroquinazolin-4-one

SMILES

NN(C(c1cccc(COc(cccc2)c2Br)c1)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C21H16BrN3O2/c22-17-9-2-4-11-19(17)27-13-14-6-5-7-15(12-14)20-24-18-10-3-1-8-16(18)21(26)25(20)23/h1-12H,13,23H2

InChI Key

GULATQLMJSEUDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.667

Distribution Coefficient, logD

3.667

Water Solubility, LogSw

-4.28

Polar Surface Area

49.441

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

6228-1083 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6228-1083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1083?
Check Price and Availability of 6228-1083, 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 6228-1083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1083
  • 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 6228-1083 available by request