D467-0050 Screening compound: ethyl 6-methyl-2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

D467-0050 Screening compound: ethyl 6-methyl-2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
D467-0050 Screening compound: ethyl 6-methyl-2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D467-0050
ethyl 6-methyl-2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

D467-0050

Molecular Formula

C22H27N3O4S2 (C22 H27 N3 O4 S2)

Compound Name

ethyl 6-methyl-2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 6-methyl-2-{2-[(4-oxo-345678-hexahydroquinazolin-2-yl)sulfanyl]acetamido}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSC(N2)=NC(CCCC3)=C3C2=O)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C22H27N3O4S2/c1-3-29-21(28)18-14-9-8-12(2)10-16(14)31-20(18)24-17(26)11-30-22-23-15-7-5-4-6-13(15)19(27)25-22/h12H,3-11H2,1-2H3,(H,24,26)(H,23,25,27)/t12-/m1/s1

InChI Key

ZIHLRHSODRSFEA-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD10042667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.683

Distribution Coefficient, logD

1.853

Water Solubility, LogSw

-4.05

Polar Surface Area

78.090

Acid Dissociation Constant (pKa)

5.58

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

D467-0050 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with D467-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D467-0050?
Check Price and Availability of D467-0050, 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 D467-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D467-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D467-0050
  • 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 D467-0050 available by request