8013-3525 Screening compound: N-[4-(chlorodifluoromethoxy)phenyl]-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetamide

8013-3525 Screening compound: N-[4-(chlorodifluoromethoxy)phenyl]-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetamide
8013-3525 Screening compound: N-[4-(chlorodifluoromethoxy)phenyl]-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3525
N-[4-(chlorodifluoromethoxy)phenyl]-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetamide

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

8013-3525

Molecular Formula

C16H12ClF2N5O2 (C16 H12 ClF2 N5 O2)

Compound Name

N-[4-(chlorodifluoromethoxy)phenyl]-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetamide

IUPAC name

N-[4-(chlorodifluoromethoxy)phenyl]-2-(5-phenyl-2H-1234-tetrazol-2-yl)acetamide

SMILES

O=C(Cn1nnc(-c2ccccc2)n1)Nc(cc1)ccc1OC(F)(F)Cl

InChI

InChI=1S/C16H12ClF2N5O2/c17-16(18,19)26-13-8-6-12(7-9-13)20-14(25)10-24-22-15(21-23-24)11-4-2-1-3-5-11/h1-9H,10H2,(H,20,25)

InChI Key

YFVNQLHFGRULIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.681

Distribution Coefficient, logD

3.681

Water Solubility, LogSw

-4.38

Polar Surface Area

67.988

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8013-3525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3525?
Check Price and Availability of 8013-3525, 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 8013-3525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3525
  • 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 8013-3525 available by request