V031-1035 Screening compound: N-[(furan-2-yl)methyl]-2-[3-(4-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetamide

V031-1035 Screening compound: N-[(furan-2-yl)methyl]-2-[3-(4-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetamide
V031-1035 Screening compound: N-[(furan-2-yl)methyl]-2-[3-(4-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1035
N-[(furan-2-yl)methyl]-2-[3-(4-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetamide

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

V031-1035

Molecular Formula

C21H16N4O6 (C21 H16 N4 O6)

Compound Name

N-[(furan-2-yl)methyl]-2-[3-(4-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetamide

IUPAC name

N-[(furan-2-yl)methyl]-2-[3-(4-nitrophenyl)-24-dioxo-1234-tetrahydroquinazolin-1-yl]acetamide

SMILES

[O-][N+](c(cc1)ccc1N(C(c(cccc1)c1N1CC(NCc2ccco2)=O)=O)C1=O)=O

InChI

InChI=1S/C21H16N4O6/c26-19(22-12-16-4-3-11-31-16)13-23-18-6-2-1-5-17(18)20(27)24(21(23)28)14-7-9-15(10-8-14)25(29)30/h1-11H,12-13H2,(H,22,26)

InChI Key

WJZMGQJWXXUXCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19783421

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

420.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.156

Distribution Coefficient, logD

2.156

Water Solubility, LogSw

-2.99

Polar Surface Area

96.257

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

V031-1035 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V031-1035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1035?
Check Price and Availability of V031-1035, 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 V031-1035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1035
  • 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 V031-1035 available by request