8343-0185 Screening compound: N-[7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-2-phenylbutanamide

8343-0185 Screening compound: N-[7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-2-phenylbutanamide
8343-0185 Screening compound: N-[7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8343-0185
N-[7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-2-phenylbutanamide

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

8343-0185

Molecular Formula

C25H25N3O3 (C25 H25 N3 O3)

Compound Name

N-[7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-2-phenylbutanamide

IUPAC name

N-[7-(4-methoxyphenyl)-5-oxo-5678-tetrahydroquinazolin-2-yl]-2-phenylbutanamide

SMILES

CCC(C(Nc(nc1)nc(CC(C2)c(cc3)ccc3OC)c1C2=O)=O)c1ccccc1

InChI

InChI=1S/C25H25N3O3/c1-3-20(17-7-5-4-6-8-17)24(30)28-25-26-15-21-22(27-25)13-18(14-23(21)29)16-9-11-19(31-2)12-10-16/h4-12,15,18,20H,3,13-14H2,1-2H3,(H,26,27,28,30)

InChI Key

WTEAXSHWWMTPMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04187264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

3.867

Water Solubility, LogSw

-4.30

Polar Surface Area

65.498

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.00

8343-0185 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8343-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8343-0185?
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What is the minimum amount of 8343-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8343-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8343-0185
  • 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 8343-0185 available by request