8017-8396 Screening compound: 2-(4-fluorophenyl)-2-oxoethyl 3-(1H-1,2,3,4-tetraazol-1-yl)propanoate

8017-8396 Screening compound: 2-(4-fluorophenyl)-2-oxoethyl 3-(1H-1,2,3,4-tetraazol-1-yl)propanoate
8017-8396 Screening compound: 2-(4-fluorophenyl)-2-oxoethyl 3-(1H-1,2,3,4-tetraazol-1-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8396
2-(4-fluorophenyl)-2-oxoethyl 3-(1H-1,2,3,4-tetraazol-1-yl)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

8017-8396

Molecular Formula

C12H11FN4O3 (C12 H11 FN4 O3)

Compound Name

2-(4-fluorophenyl)-2-oxoethyl 3-(1H-1,2,3,4-tetraazol-1-yl)propanoate

IUPAC name

2-(4-fluorophenyl)-2-oxoethyl 3-(1H-1234-tetrazol-1-yl)propanoate

SMILES

O=C(COC(CCn1nnnc1)=O)c(cc1)ccc1F

InChI

InChI=1S/C12H11FN4O3/c13-10-3-1-9(2-4-10)11(18)7-20-12(19)5-6-17-8-14-15-16-17/h1-4,8H,5-7H2

InChI Key

HHMSIWADWPXMFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.875

Distribution Coefficient, logD

0.875

Water Solubility, LogSw

-1.49

Polar Surface Area

73.911

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8017-8396 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8017-8396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8396?
Check Price and Availability of 8017-8396, 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 8017-8396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8396
  • 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 8017-8396 available by request