7913-0571 Screening compound: 7-(4-methoxyphenyl)-2-[(4-phenylquinazolin-2-yl)amino]-5,6,7,8-tetrahydroquinazolin-5-one

7913-0571 Screening compound: 7-(4-methoxyphenyl)-2-[(4-phenylquinazolin-2-yl)amino]-5,6,7,8-tetrahydroquinazolin-5-one
7913-0571 Screening compound: 7-(4-methoxyphenyl)-2-[(4-phenylquinazolin-2-yl)amino]-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7913-0571
7-(4-methoxyphenyl)-2-[(4-phenylquinazolin-2-yl)amino]-5,6,7,8-tetrahydroquinazolin-5-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

7913-0571

Molecular Formula

C29H23N5O2 (C29 H23 N5 O2)

Compound Name

7-(4-methoxyphenyl)-2-[(4-phenylquinazolin-2-yl)amino]-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

7-(4-methoxyphenyl)-2-[(4-phenylquinazolin-2-yl)amino]-5678-tetrahydroquinazolin-5-one

SMILES

COc1ccc(C(Cc2c3cnc(Nc4nc5ccccc5c(-c5ccccc5)n4)n2)CC3=O)cc1

InChI

InChI=1S/C29H23N5O2/c1-36-21-13-11-18(12-14-21)20-15-25-23(26(35)16-20)17-30-28(32-25)34-29-31-24-10-6-5-9-22(24)27(33-29)19-7-3-2-4-8-19/h2-14,17,20H,15-16H2,1H3,(H,30,31,32,33,34)/t20-/m1/s1

InChI Key

JLFQRWMVHMYERB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD05706452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.876

Distribution Coefficient, logD

5.696

Water Solubility, LogSw

-5.84

Polar Surface Area

71.239

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

7913-0571 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 7913-0571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7913-0571?
Check Price and Availability of 7913-0571, 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 7913-0571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7913-0571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7913-0571
  • 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 7913-0571 available by request