V029-7991 Screening compound: 2-[3-ethyl-2,4-dioxo-3,4-dihydro-1(2H)-quinazolinyl]-2-phenyl-N~1~-[3-(trifluoromethyl)benzyl]acetamide

V029-7991 Screening compound: 2-[3-ethyl-2,4-dioxo-3,4-dihydro-1(2H)-quinazolinyl]-2-phenyl-N~1~-[3-(trifluoromethyl)benzyl]acetamide
V029-7991 Screening compound: 2-[3-ethyl-2,4-dioxo-3,4-dihydro-1(2H)-quinazolinyl]-2-phenyl-N~1~-[3-(trifluoromethyl)benzyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-7991
2-[3-ethyl-2,4-dioxo-3,4-dihydro-1(2H)-quinazolinyl]-2-phenyl-N~1~-[3-(trifluoromethyl)benzyl]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

V029-7991

Molecular Formula

C26H22F3N3O3 (C26 H22 F3 N3 O3)

Compound Name

2-[3-ethyl-2,4-dioxo-3,4-dihydro-1(2H)-quinazolinyl]-2-phenyl-N~1~-[3-(trifluoromethyl)benzyl]acetamide

IUPAC name

2-(3-ethyl-24-dioxo-1234-tetrahydroquinazolin-1-yl)-2-phenyl-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

SMILES

CCN(C(c(cccc1)c1N1C(C(NCc2cccc(C(F)(F)F)c2)=O)c2ccccc2)=O)C1=O

InChI

InChI=1S/C26H22F3N3O3/c1-2-31-24(34)20-13-6-7-14-21(20)32(25(31)35)22(18-10-4-3-5-11-18)23(33)30-16-17-9-8-12-19(15-17)26(27,28)29/h3-15,22H,2,16H2,1H3,(H,30,33)/t22-/m1/s1

InChI Key

GHCKBZZZYFOCSZ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19792322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.308

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.41

Polar Surface Area

54.638

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.23

V029-7991 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V029-7991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7991?
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What is the minimum amount of V029-7991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7991
  • 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 V029-7991 available by request