3009-4056 Screening compound: N-[2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-chloro-4-fluorobenzamide

3009-4056 Screening compound: N-[2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-chloro-4-fluorobenzamide
3009-4056 Screening compound: N-[2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-chloro-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3009-4056
N-[2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-chloro-4-fluorobenzamide

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

3009-4056

Molecular Formula

C21H12BrClFN3O2 (C21 H12 BrClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(ccc(F)c1)c1Cl)NN(C(c(cc1)ccc1Br)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C21H12BrClFN3O2/c22-13-7-5-12(6-8-13)19-25-18-4-2-1-3-16(18)21(29)27(19)26-20(28)15-10-9-14(24)11-17(15)23/h1-11H,(H,26,28)

InChI Key

LXCIMLFGFZOPRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.7

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

3.956

Distribution Coefficient, logD

3.728

Water Solubility, LogSw

-4.60

Polar Surface Area

51.751

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3009-4056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3009-4056?
Check Price and Availability of 3009-4056, 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 3009-4056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3009-4056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3009-4056
  • 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 3009-4056 available by request