SD71-0039 Screening compound: 1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-[2-(4-ethylpiperazino)ethyl]-1H-1,2,3-triazole-4-carboxamide

SD71-0039 Screening compound: 1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-[2-(4-ethylpiperazino)ethyl]-1H-1,2,3-triazole-4-carboxamide
SD71-0039 Screening compound: 1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-[2-(4-ethylpiperazino)ethyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD71-0039
1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-[2-(4-ethylpiperazino)ethyl]-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

SD71-0039

Molecular Formula

C20H27F2N7O2 (C20 H27 F2 N7 O2)

Compound Name

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

IUPAC name

n/a

SMILES

CCN1CCN(CCNC(c2cn(C(C(NCc3ccccc3)=O)(F)F)nn2)=O)CC1

InChI

InChI=1S/C20H27F2N7O2/c1-2-27-10-12-28(13-11-27)9-8-23-18(30)17-15-29(26-25-17)20(21,22)19(31)24-14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,23,30)(H,24,31)

InChI Key

SXUKSMMVJRENSW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

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

0.734

Distribution Coefficient, logD

-0.059

Water Solubility, LogSw

-1.75

Polar Surface Area

82.296

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

SD71-0039 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 SD71-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD71-0039?
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What is the minimum amount of SD71-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD71-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD71-0039
  • 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 SD71-0039 available by request