V003-1683 Screening compound: 3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxy-3,4-dihydroquinazolin-4-one

V003-1683 Screening compound: 3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxy-3,4-dihydroquinazolin-4-one
V003-1683 Screening compound: 3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxy-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-1683
3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxy-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

V003-1683

Molecular Formula

C23H16F4N2O2 (C23 H16 F4 N2 O2)

Compound Name

3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxy-3,4-dihydroquinazolin-4-one

IUPAC name

3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxy-34-dihydroquinazolin-4-one

SMILES

COc(cc1)cc2c1N=C(c(cc1)c(C(F)(F)F)cc1F)N(Cc1ccccc1)C2=O

InChI

InChI=1S/C23H16F4N2O2/c1-31-16-8-10-20-18(12-16)22(30)29(13-14-5-3-2-4-6-14)21(28-20)17-9-7-15(24)11-19(17)23(25,26)27/h2-12H,13H2,1H3

InChI Key

GCCCLPBPPIASNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.496

Distribution Coefficient, logD

5.495

Water Solubility, LogSw

-5.46

Polar Surface Area

32.894

Acid Dissociation Constant (pKa)

29.91

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

V003-1683 in Drug Discovery

Included in Screening Libraries

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 V003-1683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1683?
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What is the minimum amount of V003-1683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1683
  • 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 V003-1683 available by request