D365-0045 Screening compound: methyl 4-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate

D365-0045 Screening compound: methyl 4-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
D365-0045 Screening compound: methyl 4-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D365-0045
methyl 4-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate

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

D365-0045

Molecular Formula

C18H19N3O4S (C18 H19 N3 O4 S)

Compound Name

methyl 4-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate

IUPAC name

methyl 4-{2-[(4-oxo-345678-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CSC(N1)=NC(CCCC2)=C2C1=O)=O)=O

InChI

InChI=1S/C18H19N3O4S/c1-25-17(24)11-6-8-12(9-7-11)19-15(22)10-26-18-20-14-5-3-2-4-13(14)16(23)21-18/h6-9H,2-5,10H2,1H3,(H,19,22)(H,20,21,23)

InChI Key

UTMAMHVWOYSUMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09057405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.248

Distribution Coefficient, logD

2.033

Water Solubility, LogSw

-2.72

Polar Surface Area

78.795

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D365-0045 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D365-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D365-0045?
Check Price and Availability of D365-0045, 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 D365-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D365-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D365-0045
  • 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 D365-0045 available by request