8016-8869 Screening compound: ethyl 3-({2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetraazol-2-yl]acetyl}amino)-3-(4-methoxyphenyl)propanoate

8016-8869 Screening compound: ethyl 3-({2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetraazol-2-yl]acetyl}amino)-3-(4-methoxyphenyl)propanoate
8016-8869 Screening compound: ethyl 3-({2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetraazol-2-yl]acetyl}amino)-3-(4-methoxyphenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8869
ethyl 3-({2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetraazol-2-yl]acetyl}amino)-3-(4-methoxyphenyl)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

8016-8869

Molecular Formula

C21H22FN5O4 (C21 H22 FN5 O4)

Compound Name

ethyl 3-({2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetraazol-2-yl]acetyl}amino)-3-(4-methoxyphenyl)propanoate

IUPAC name

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

SMILES

CCOC(CC(c(cc1)ccc1OC)NC(Cn1nnc(-c(cccc2)c2F)n1)=O)=O

InChI

InChI=1S/C21H22FN5O4/c1-3-31-20(29)12-18(14-8-10-15(30-2)11-9-14)23-19(28)13-27-25-21(24-26-27)16-6-4-5-7-17(16)22/h4-11,18H,3,12-13H2,1-2H3,(H,23,28)/t18-/m0/s1

InChI Key

UHAUFAKWQHJTPP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD05860011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.692

Distribution Coefficient, logD

2.692

Water Solubility, LogSw

-3.16

Polar Surface Area

90.146

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

8016-8869 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

Integrin Receptors Targeted library (1715 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8016-8869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8869?
Check Price and Availability of 8016-8869, 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 8016-8869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8869
  • 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 8016-8869 available by request