V005-9449 Screening compound: 6-bromo-2-(4-methoxy-2,5-dimethylphenyl)-3-(4-methoxyphenethyl)-4(3H)-quinazolinone

V005-9449 Screening compound: 6-bromo-2-(4-methoxy-2,5-dimethylphenyl)-3-(4-methoxyphenethyl)-4(3H)-quinazolinone
V005-9449 Screening compound: 6-bromo-2-(4-methoxy-2,5-dimethylphenyl)-3-(4-methoxyphenethyl)-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9449
6-bromo-2-(4-methoxy-2,5-dimethylphenyl)-3-(4-methoxyphenethyl)-4(3H)-quinazolinone

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

V005-9449

Molecular Formula

C26H25BrN2O3 (C26 H25 BrN2 O3)

Compound Name

6-bromo-2-(4-methoxy-2,5-dimethylphenyl)-3-(4-methoxyphenethyl)-4(3H)-quinazolinone

IUPAC name

6-bromo-2-(4-methoxy-25-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-34-dihydroquinazolin-4-one

SMILES

Cc(cc(c(C)c1)OC)c1C(N1CCc(cc2)ccc2OC)=Nc(ccc(Br)c2)c2C1=O

InChI

InChI=1S/C26H25BrN2O3/c1-16-14-24(32-4)17(2)13-21(16)25-28-23-10-7-19(27)15-22(23)26(30)29(25)12-11-18-5-8-20(31-3)9-6-18/h5-10,13-15H,11-12H2,1-4H3

InChI Key

IRPGHADINCIDLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.170

Distribution Coefficient, logD

6.170

Water Solubility, LogSw

-5.51

Polar Surface Area

40.502

Acid Dissociation Constant (pKa)

26.13

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

V005-9449 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 V005-9449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9449?
Check Price and Availability of V005-9449, 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 V005-9449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9449
  • 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 V005-9449 available by request