8017-1090 Screening compound: ethyl 5-({2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}methyl)furan-2-carboxylate

8017-1090 Screening compound: ethyl 5-({2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}methyl)furan-2-carboxylate
8017-1090 Screening compound: ethyl 5-({2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}methyl)furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1090
ethyl 5-({2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}methyl)furan-2-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

8017-1090

Molecular Formula

C17H16FN5O4 (C17 H16 FN5 O4)

Compound Name

ethyl 5-({2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}methyl)furan-2-carboxylate

IUPAC name

ethyl 5-({2-[5-(2-fluorophenyl)-2H-1234-tetrazol-2-yl]acetamido}methyl)furan-2-carboxylate

SMILES

CCOC(c1ccc(CNC(Cn2nnc(-c(cccc3)c3F)n2)=O)o1)=O

InChI

InChI=1S/C17H16FN5O4/c1-2-26-17(25)14-8-7-11(27-14)9-19-15(24)10-23-21-16(20-22-23)12-5-3-4-6-13(12)18/h3-8H,2,9-10H2,1H3,(H,19,24)

InChI Key

PBPXOQCPUAWWNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.277

Distribution Coefficient, logD

2.277

Water Solubility, LogSw

-2.87

Polar Surface Area

91.408

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8017-1090 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-1090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1090?
Check Price and Availability of 8017-1090, 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 8017-1090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1090
  • 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 8017-1090 available by request