V002-7449 Screening compound: ethyl 4-{[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate

V002-7449 Screening compound: ethyl 4-{[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
V002-7449 Screening compound: ethyl 4-{[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7449
ethyl 4-{[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate

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

V002-7449

Molecular Formula

C20H19N3O5S (C20 H19 N3 O5 S)

Compound Name

ethyl 4-{[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate

IUPAC name

ethyl 4-{[3-(4-nitrophenyl)-4-oxo-34-dihydroquinazolin-2-yl]sulfanyl}butanoate

SMILES

CCOC(CCCSC(N1c(cc2)ccc2[N+]([O-])=O)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C20H19N3O5S/c1-2-28-18(24)8-5-13-29-20-21-17-7-4-3-6-16(17)19(25)22(20)14-9-11-15(12-10-14)23(26)27/h3-4,6-7,9-12H,2,5,8,13H2,1H3

InChI Key

LSFVENOKBULPEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19841879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.246

Distribution Coefficient, logD

3.246

Water Solubility, LogSw

-3.86

Polar Surface Area

78.971

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V002-7449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7449?
Check Price and Availability of V002-7449, 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 V002-7449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7449
  • 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 V002-7449 available by request