D216-0658 Screening compound: 3-fluoro-N-[2-(1-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}-1H-1,2,3,4-tetrazol-5-yl)phenyl]benzamide

D216-0658 Screening compound: 3-fluoro-N-[2-(1-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}-1H-1,2,3,4-tetrazol-5-yl)phenyl]benzamide
D216-0658 Screening compound: 3-fluoro-N-[2-(1-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}-1H-1,2,3,4-tetrazol-5-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0658
3-fluoro-N-[2-(1-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}-1H-1,2,3,4-tetrazol-5-yl)phenyl]benzamide

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

D216-0658

Molecular Formula

C20H16FN7O3 (C20 H16 FN7 O3)

Compound Name

3-fluoro-N-[2-(1-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}-1H-1,2,3,4-tetrazol-5-yl)phenyl]benzamide

IUPAC name

3-fluoro-N-[2-(1-{[(5-methyl-12-oxazol-3-yl)carbamoyl]methyl}-1H-1234-tetrazol-5-yl)phenyl]benzamide

SMILES

Cc1cc(NC(Cn2nnnc2-c(cccc2)c2NC(c2cccc(F)c2)=O)=O)no1

InChI

InChI=1S/C20H16FN7O3/c1-12-9-17(25-31-12)23-18(29)11-28-19(24-26-27-28)15-7-2-3-8-16(15)22-20(30)13-5-4-6-14(21)10-13/h2-10H,11H2,1H3,(H,22,30)(H,23,25,29)

InChI Key

NYWMZIXMHASTIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.662

Distribution Coefficient, logD

2.645

Water Solubility, LogSw

-3.42

Polar Surface Area

106.509

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D216-0658 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with D216-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0658?
Check Price and Availability of D216-0658, 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 D216-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0658
  • 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 D216-0658 available by request