C109-0071 Screening compound: 4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0071 Screening compound: 4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0071 Screening compound: 4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0071
4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide

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

C109-0071

Molecular Formula

C23H21N3O3 (C23 H21 N3 O3)

Compound Name

4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-3-phenyl-1234-tetrahydroquinazoline-4-carboxamide

SMILES

Cc1ccc(CNC(C(c(cccc2)c2N2)(N(c3ccccc3)C2=O)O)=O)cc1

InChI

InChI=1S/C23H21N3O3/c1-16-11-13-17(14-12-16)15-24-21(27)23(29)19-9-5-6-10-20(19)25-22(28)26(23)18-7-3-2-4-8-18/h2-14,29H,15H2,1H3,(H,24,27)(H,25,28)/t23-/m1/s1

InChI Key

NBGKCLHLNXCKCT-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14720027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.562

Distribution Coefficient, logD

3.562

Water Solubility, LogSw

-3.62

Polar Surface Area

67.105

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

C109-0071 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C109-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0071?
Check Price and Availability of C109-0071, 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 C109-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0071
  • 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 C109-0071 available by request