F517-0091 Screening compound: methyl 2-{[2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl}acetate

F517-0091 Screening compound: methyl 2-{[2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl}acetate
F517-0091 Screening compound: methyl 2-{[2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F517-0091
methyl 2-{[2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl}acetate

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

F517-0091

Molecular Formula

C11H10ClN5O3 (C11 H10 ClN5 O3)

Compound Name

methyl 2-{[2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl}acetate

IUPAC name

methyl 2-{[2-chloro-5-(1H-1234-tetrazol-1-yl)phenyl]carbamoyl}acetate

SMILES

COC(CC(Nc(cc(cc1)-n2nnnc2)c1Cl)=O)=O

InChI

InChI=1S/C11H10ClN5O3/c1-20-11(19)5-10(18)14-9-4-7(2-3-8(9)12)17-6-13-15-16-17/h2-4,6H,5H2,1H3,(H,14,18)

InChI Key

SBHUKDWFGFKNHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.566

Distribution Coefficient, logD

0.566

Water Solubility, LogSw

-2.51

Polar Surface Area

83.034

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F517-0091 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F517-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F517-0091?
Check Price and Availability of F517-0091, 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 F517-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F517-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F517-0091
  • 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 F517-0091 available by request