D365-0081 Screening compound: 2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]-N-phenylpropanamide

D365-0081 Screening compound: 2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]-N-phenylpropanamide
D365-0081 Screening compound: 2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D365-0081
2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]-N-phenylpropanamide

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

D365-0081

Molecular Formula

C17H19N3O2S (C17 H19 N3 O2 S)

Compound Name

2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]-N-phenylpropanamide

IUPAC name

2-[(4-oxo-345678-hexahydroquinazolin-2-yl)sulfanyl]-N-phenylpropanamide

SMILES

CC(C(Nc1ccccc1)=O)SC(N1)=NC(CCCC2)=C2C1=O

InChI

InChI=1S/C17H19N3O2S/c1-11(15(21)18-12-7-3-2-4-8-12)23-17-19-14-10-6-5-9-13(14)16(22)20-17/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,18,21)(H,19,20,22)/t11-/m0/s1

InChI Key

OFHHSKSQFGJJFM-NSHDSACASA-N

MDL Number (MFCD)

MFCD09057428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.519

Distribution Coefficient, logD

2.430

Water Solubility, LogSw

-2.84

Polar Surface Area

57.835

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D365-0081 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D365-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D365-0081?
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What is the minimum amount of D365-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D365-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D365-0081
  • 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 D365-0081 available by request