SD71-0002 Screening compound: 1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-(3-morpholinopropyl)-1H-1,2,3-triazole-4-carboxamide

SD71-0002 Screening compound: 1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-(3-morpholinopropyl)-1H-1,2,3-triazole-4-carboxamide
SD71-0002 Screening compound: 1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-(3-morpholinopropyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD71-0002
1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-(3-morpholinopropyl)-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

SD71-0002

Molecular Formula

C19H24F2N6O3 (C19 H24 F2 N6 O3)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(C(n1nnc(C(NCCCN2CCOCC2)=O)c1)(F)F)NCc1ccccc1

InChI

InChI=1S/C19H24F2N6O3/c20-19(21,18(29)23-13-15-5-2-1-3-6-15)27-14-16(24-25-27)17(28)22-7-4-8-26-9-11-30-12-10-26/h1-3,5-6,14H,4,7-13H2,(H,22,28)(H,23,29)

InChI Key

JHHXKSPMGUYPSC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.599

Distribution Coefficient, logD

0.211

Water Solubility, LogSw

-1.59

Polar Surface Area

86.668

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

References: we are preparing a list of scientific research reports with SD71-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD71-0002?
Check Price and Availability of SD71-0002, 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 SD71-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD71-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD71-0002
  • 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 SD71-0002 available by request