8018-9480 Screening compound: ethyl 3-(4-methoxyphenyl)-3-(2-{[1-(pyridin-3-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)propanoate

8018-9480 Screening compound: ethyl 3-(4-methoxyphenyl)-3-(2-{[1-(pyridin-3-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)propanoate
8018-9480 Screening compound: ethyl 3-(4-methoxyphenyl)-3-(2-{[1-(pyridin-3-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9480
ethyl 3-(4-methoxyphenyl)-3-(2-{[1-(pyridin-3-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)propanoate

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

8018-9480

Molecular Formula

C20H22N6O4S (C20 H22 N6 O4 S)

Compound Name

ethyl 3-(4-methoxyphenyl)-3-(2-{[1-(pyridin-3-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)propanoate

IUPAC name

ethyl 3-(4-methoxyphenyl)-3-(2-{[1-(pyridin-3-yl)-1H-1234-tetrazol-5-yl]sulfanyl}acetamido)propanoate

SMILES

CCOC(CC(c(cc1)ccc1OC)NC(CSc1nnnn1-c1cnccc1)=O)=O

InChI

InChI=1S/C20H22N6O4S/c1-3-30-19(28)11-17(14-6-8-16(29-2)9-7-14)22-18(27)13-31-20-23-24-25-26(20)15-5-4-10-21-12-15/h4-10,12,17H,3,11,13H2,1-2H3,(H,22,27)/t17-/m0/s1

InChI Key

HJJCFXXGJKSQKL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD09063226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.016

Distribution Coefficient, logD

1.959

Water Solubility, LogSw

-1.93

Polar Surface Area

101.211

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8018-9480 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Integrin Receptors Targeted library (1715 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8018-9480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9480?
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What is the minimum amount of 8018-9480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9480
  • 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 8018-9480 available by request