V009-0531 Screening compound: 3-[4-(butan-2-yl)phenyl]-2-(5-fluoro-1H-indol-3-yl)-3,4-dihydroquinazolin-4-one

V009-0531 Screening compound: 3-[4-(butan-2-yl)phenyl]-2-(5-fluoro-1H-indol-3-yl)-3,4-dihydroquinazolin-4-one
V009-0531 Screening compound: 3-[4-(butan-2-yl)phenyl]-2-(5-fluoro-1H-indol-3-yl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0531
3-[4-(butan-2-yl)phenyl]-2-(5-fluoro-1H-indol-3-yl)-3,4-dihydroquinazolin-4-one

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

V009-0531

Molecular Formula

C26H22FN3O (C26 H22 FN3 O)

Compound Name

3-[4-(butan-2-yl)phenyl]-2-(5-fluoro-1H-indol-3-yl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-[4-(butan-2-yl)phenyl]-2-(5-fluoro-1H-indol-3-yl)-34-dihydroquinazolin-4-one

SMILES

CCC(C)c(cc1)ccc1N(C(c1c[nH]c(cc2)c1cc2F)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C26H22FN3O/c1-3-16(2)17-8-11-19(12-9-17)30-25(29-24-7-5-4-6-20(24)26(30)31)22-15-28-23-13-10-18(27)14-21(22)23/h4-16,28H,3H2,1-2H3/t16-/m0/s1

InChI Key

CAAVXIFUGLRPMS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19959840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.771

Distribution Coefficient, logD

5.449

Water Solubility, LogSw

-5.70

Polar Surface Area

34.609

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

V009-0531 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V009-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0531?
Check Price and Availability of V009-0531, 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 V009-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0531
  • 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 V009-0531 available by request