SD71-0016 Screening compound: 1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-cyclopropyl-1H-1,2,3-triazole-4-carboxamide

SD71-0016 Screening compound: 1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-cyclopropyl-1H-1,2,3-triazole-4-carboxamide
SD71-0016 Screening compound: 1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-cyclopropyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD71-0016
1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-cyclopropyl-1H-1,2,3-triazole-4-carboxamide

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

SD71-0016

Molecular Formula

C15H15F2N5O2 (C15 H15 F2 N5 O2)

Compound Name

1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-cyclopropyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

n/a

SMILES

O=C(C(n1nnc(C(NC2CC2)=O)c1)(F)F)NCc1ccccc1

InChI

InChI=1S/C15H15F2N5O2/c16-15(17,14(24)18-8-10-4-2-1-3-5-10)22-9-12(20-21-22)13(23)19-11-6-7-11/h1-5,9,11H,6-8H2,(H,18,24)(H,19,23)

InChI Key

CSGXZEACHGLBQC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.305

Distribution Coefficient, logD

1.305

Water Solubility, LogSw

-1.62

Polar Surface Area

74.991

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with SD71-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD71-0016?
Check Price and Availability of SD71-0016, 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 SD71-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD71-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD71-0016
  • 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 SD71-0016 available by request