D365-0100 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide

D365-0100 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide
D365-0100 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D365-0100
N-(3-chloro-4-methoxyphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide

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

D365-0100

Molecular Formula

C18H20ClN3O3S (C18 H20 ClN3 O3 S)

Compound Name

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

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-[(4-oxo-345678-hexahydroquinazolin-2-yl)sulfanyl]propanamide

SMILES

CC(C(Nc(cc1)cc(Cl)c1OC)=O)SC(N1)=NC(CCCC2)=C2C1=O

InChI

InChI=1S/C18H20ClN3O3S/c1-10(16(23)20-11-7-8-15(25-2)13(19)9-11)26-18-21-14-6-4-3-5-12(14)17(24)22-18/h7-10H,3-6H2,1-2H3,(H,20,23)(H,21,22,24)/t10-/m0/s1

InChI Key

MTAJGEHDDGBLJW-JTQLQIEISA-N

MDL Number (MFCD)

MFCD09057444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.221

Distribution Coefficient, logD

3.132

Water Solubility, LogSw

-3.58

Polar Surface Area

65.465

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

D365-0100 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 D365-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D365-0100?
Check Price and Availability of D365-0100, 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 D365-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D365-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D365-0100
  • 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 D365-0100 available by request