3129-4909 Screening compound: 2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 3,4-dimethylbenzoate

3129-4909 Screening compound: 2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 3,4-dimethylbenzoate
3129-4909 Screening compound: 2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 3,4-dimethylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3129-4909
2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 3,4-dimethylbenzoate

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

3129-4909

Molecular Formula

C23H17BrN2O3 (C23 H17 BrN2 O3)

Compound Name

2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 3,4-dimethylbenzoate

IUPAC name

2-(4-bromophenyl)-4-oxo-34-dihydroquinazolin-3-yl 34-dimethylbenzoate

SMILES

Cc(cc1)c(C)cc1C(ON(C(c(cc1)ccc1Br)=Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C23H17BrN2O3/c1-14-7-8-17(13-15(14)2)23(28)29-26-21(16-9-11-18(24)12-10-16)25-20-6-4-3-5-19(20)22(26)27/h3-13H,1-2H3

InChI Key

SQXZXERKDWMCMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.063

Distribution Coefficient, logD

5.063

Water Solubility, LogSw

-4.69

Polar Surface Area

48.251

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 3129-4909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3129-4909?
Check Price and Availability of 3129-4909, 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 3129-4909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3129-4909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3129-4909
  • 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 3129-4909 available by request