8012-9654 Screening compound: N~1~-(3,4-dimethylphenyl)-2-{2-ethoxy-4-[3-(4-hydroxyphenyl)-4-oxo-1,2,3,4-tetrahydro-2-quinazolinyl]phenoxy}acetamide

8012-9654 Screening compound: N~1~-(3,4-dimethylphenyl)-2-{2-ethoxy-4-[3-(4-hydroxyphenyl)-4-oxo-1,2,3,4-tetrahydro-2-quinazolinyl]phenoxy}acetamide
8012-9654 Screening compound: N~1~-(3,4-dimethylphenyl)-2-{2-ethoxy-4-[3-(4-hydroxyphenyl)-4-oxo-1,2,3,4-tetrahydro-2-quinazolinyl]phenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9654
N~1~-(3,4-dimethylphenyl)-2-{2-ethoxy-4-[3-(4-hydroxyphenyl)-4-oxo-1,2,3,4-tetrahydro-2-quinazolinyl]phenoxy}acetamide

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

8012-9654

Molecular Formula

C32H31N3O5 (C32 H31 N3 O5)

Compound Name

N~1~-(3,4-dimethylphenyl)-2-{2-ethoxy-4-[3-(4-hydroxyphenyl)-4-oxo-1,2,3,4-tetrahydro-2-quinazolinyl]phenoxy}acetamide

IUPAC name

N-(34-dimethylphenyl)-2-{2-ethoxy-4-[3-(4-hydroxyphenyl)-4-oxo-1234-tetrahydroquinazolin-2-yl]phenoxy}acetamide

SMILES

CCOc(cc(C(Nc1c2cccc1)N(c(cc1)ccc1O)C2=O)cc1)c1OCC(Nc1cc(C)c(C)cc1)=O

InChI

InChI=1S/C32H31N3O5/c1-4-39-29-18-22(10-16-28(29)40-19-30(37)33-23-11-9-20(2)21(3)17-23)31-34-27-8-6-5-7-26(27)32(38)35(31)24-12-14-25(36)15-13-24/h5-18,31,34,36H,4,19H2,1-3H3,(H,33,37)/t31-/m0/s1

InChI Key

QONNOHCJACXYNU-HKBQPEDESA-N

MDL Number (MFCD)

MFCD03195725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.461

Distribution Coefficient, logD

5.461

Water Solubility, LogSw

-5.29

Polar Surface Area

82.022

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.75

8012-9654 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-9654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9654?
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What is the minimum amount of 8012-9654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9654
  • 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 8012-9654 available by request