D365-0050 Screening compound: N-(2,5-dimethoxyphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide

D365-0050 Screening compound: N-(2,5-dimethoxyphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide
D365-0050 Screening compound: N-(2,5-dimethoxyphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D365-0050
N-(2,5-dimethoxyphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]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

D365-0050

Molecular Formula

C18H21N3O4S (C18 H21 N3 O4 S)

Compound Name

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

IUPAC name

N-(25-dimethoxyphenyl)-2-[(4-oxo-345678-hexahydroquinazolin-2-yl)sulfanyl]acetamide

SMILES

COc(cc1)cc(NC(CSC(N2)=NC(CCCC3)=C3C2=O)=O)c1OC

InChI

InChI=1S/C18H21N3O4S/c1-24-11-7-8-15(25-2)14(9-11)19-16(22)10-26-18-20-13-6-4-3-5-12(13)17(23)21-18/h7-9H,3-6,10H2,1-2H3,(H,19,22)(H,20,21,23)

InChI Key

GXXXSDZVHNKSIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09057409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.841

Distribution Coefficient, logD

1.626

Water Solubility, LogSw

-2.53

Polar Surface Area

72.098

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D365-0050 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D365-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D365-0050?
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What is the minimum amount of D365-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D365-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D365-0050
  • 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 D365-0050 available by request