SD71-0022 Screening compound: N~1~-benzyl-2,2-difluoro-2-(4-{[4-(methoxymethyl)piperidino]carbonyl}-1H-1,2,3-triazol-1-yl)acetamide

SD71-0022 Screening compound: N~1~-benzyl-2,2-difluoro-2-(4-{[4-(methoxymethyl)piperidino]carbonyl}-1H-1,2,3-triazol-1-yl)acetamide
SD71-0022 Screening compound: N~1~-benzyl-2,2-difluoro-2-(4-{[4-(methoxymethyl)piperidino]carbonyl}-1H-1,2,3-triazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD71-0022
N~1~-benzyl-2,2-difluoro-2-(4-{[4-(methoxymethyl)piperidino]carbonyl}-1H-1,2,3-triazol-1-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

SD71-0022

Molecular Formula

C19H23F2N5O3 (C19 H23 F2 N5 O3)

Compound Name

N~1~-benzyl-2,2-difluoro-2-(4-{[4-(methoxymethyl)piperidino]carbonyl}-1H-1,2,3-triazol-1-yl)acetamide

IUPAC name

n/a

SMILES

COCC(CC1)CCN1C(c1cn(C(C(NCc2ccccc2)=O)(F)F)nn1)=O

InChI

InChI=1S/C19H23F2N5O3/c1-29-13-15-7-9-25(10-8-15)17(27)16-12-26(24-23-16)19(20,21)18(28)22-11-14-5-3-2-4-6-14/h2-6,12,15H,7-11,13H2,1H3,(H,22,28)

InChI Key

GPEZKRKFWDITJZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.879

Distribution Coefficient, logD

1.878

Water Solubility, LogSw

-2.15

Polar Surface Area

75.594

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

SD71-0022 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD71-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD71-0022?
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What is the minimum amount of SD71-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD71-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD71-0022
  • 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 SD71-0022 available by request