3193-5061 Screening compound: 2-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 4-bromobenzoate

3193-5061 Screening compound: 2-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 4-bromobenzoate
3193-5061 Screening compound: 2-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3193-5061
2-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 4-bromobenzoate

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

3193-5061

Molecular Formula

C23H17BrN2O5 (C23 H17 BrN2 O5)

Compound Name

2-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 4-bromobenzoate

IUPAC name

2-(35-dimethoxyphenyl)-4-oxo-34-dihydroquinazolin-3-yl 4-bromobenzoate

SMILES

COc1cc(C(N2OC(c(cc3)ccc3Br)=O)=Nc(cccc3)c3C2=O)cc(OC)c1

InChI

InChI=1S/C23H17BrN2O5/c1-29-17-11-15(12-18(13-17)30-2)21-25-20-6-4-3-5-19(20)22(27)26(21)31-23(28)14-7-9-16(24)10-8-14/h3-13H,1-2H3

InChI Key

HBWUGAAVWDYARF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.314

Distribution Coefficient, logD

4.299

Water Solubility, LogSw

-4.39

Polar Surface Area

63.339

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3193-5061 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3193-5061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3193-5061?
Check Price and Availability of 3193-5061, 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 3193-5061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3193-5061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3193-5061
  • 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 3193-5061 available by request