3091-4644 Screening compound: N-[2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-methylbenzamide

3091-4644 Screening compound: N-[2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-methylbenzamide
3091-4644 Screening compound: N-[2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3091-4644
N-[2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-methylbenzamide

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

3091-4644

Molecular Formula

C22H16BrN3O2 (C22 H16 BrN3 O2)

Compound Name

N-[2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-methylbenzamide

IUPAC name

N-[2-(4-bromophenyl)-4-oxo-34-dihydroquinazolin-3-yl]-3-methylbenzamide

SMILES

Cc1cccc(C(NN(C(c(cc2)ccc2Br)=Nc2c3cccc2)C3=O)=O)c1

InChI

InChI=1S/C22H16BrN3O2/c1-14-5-4-6-16(13-14)21(27)25-26-20(15-9-11-17(23)12-10-15)24-19-8-3-2-7-18(19)22(26)28/h2-13H,1H3,(H,25,27)

InChI Key

FVGHMLMBNDCBFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.807

Distribution Coefficient, logD

3.793

Water Solubility, LogSw

-4.00

Polar Surface Area

51.751

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 3091-4644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3091-4644?
Check Price and Availability of 3091-4644, 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 3091-4644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3091-4644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3091-4644
  • 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 3091-4644 available by request