3647-4770 Screening compound: 3-(4-methoxyphenyl)-2-phenyl-1,2,3,4-tetrahydroquinazolin-4-one

3647-4770 Screening compound: 3-(4-methoxyphenyl)-2-phenyl-1,2,3,4-tetrahydroquinazolin-4-one
3647-4770 Screening compound: 3-(4-methoxyphenyl)-2-phenyl-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3647-4770
3-(4-methoxyphenyl)-2-phenyl-1,2,3,4-tetrahydroquinazolin-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

3647-4770

Molecular Formula

C21H18N2O2 (C21 H18 N2 O2)

Compound Name

3-(4-methoxyphenyl)-2-phenyl-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-(4-methoxyphenyl)-2-phenyl-1234-tetrahydroquinazolin-4-one

SMILES

COc(cc1)ccc1N(C(c1ccccc1)Nc1c2cccc1)C2=O

InChI

InChI=1S/C21H18N2O2/c1-25-17-13-11-16(12-14-17)23-20(15-7-3-2-4-8-15)22-19-10-6-5-9-18(19)21(23)24/h2-14,20,22H,1H3/t20-/m0/s1

InChI Key

YJNKDFDUTXAYNJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01426360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.310

Distribution Coefficient, logD

4.310

Water Solubility, LogSw

-4.41

Polar Surface Area

34.275

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

-4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

3647-4770 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3647-4770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3647-4770?
Check Price and Availability of 3647-4770, 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 3647-4770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3647-4770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3647-4770
  • 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 3647-4770 available by request