C512-0063 Screening compound: 2-[benzyl(2-phenylethyl)amino]-3-(4-chlorophenyl)-3,4-dihydroquinazolin-4-one

C512-0063 Screening compound: 2-[benzyl(2-phenylethyl)amino]-3-(4-chlorophenyl)-3,4-dihydroquinazolin-4-one
C512-0063 Screening compound: 2-[benzyl(2-phenylethyl)amino]-3-(4-chlorophenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C512-0063
2-[benzyl(2-phenylethyl)amino]-3-(4-chlorophenyl)-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

C512-0063

Molecular Formula

C29H24ClN3O (C29 H24 ClN3 O)

Compound Name

2-[benzyl(2-phenylethyl)amino]-3-(4-chlorophenyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-[benzyl(2-phenylethyl)amino]-3-(4-chlorophenyl)-34-dihydroquinazolin-4-one

SMILES

O=C1N(c(cc2)ccc2Cl)C(N(CCc2ccccc2)Cc2ccccc2)=Nc2c1cccc2

InChI

InChI=1S/C29H24ClN3O/c30-24-15-17-25(18-16-24)33-28(34)26-13-7-8-14-27(26)31-29(33)32(21-23-11-5-2-6-12-23)20-19-22-9-3-1-4-10-22/h1-18H,19-21H2

InChI Key

INVZSFDFWLWJFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.98

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.724

Distribution Coefficient, logD

5.721

Water Solubility, LogSw

-6.06

Polar Surface Area

27.481

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

C512-0063 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C512-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C512-0063?
Check Price and Availability of C512-0063, 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 C512-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C512-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C512-0063
  • 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 C512-0063 available by request