SD71-0037 Screening compound: 1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N~4~-methyl-1H-1,2,3-triazole-4-carboxamide

SD71-0037 Screening compound: 1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N~4~-methyl-1H-1,2,3-triazole-4-carboxamide
SD71-0037 Screening compound: 1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N~4~-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD71-0037
1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N~4~-methyl-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

SD71-0037

Molecular Formula

C20H23F2N7O2 (C20 H23 F2 N7 O2)

Compound Name

1-[2-(benzylamino)-1,1-difluoro-2-oxoethyl]-N~4~-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N~4~-methyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

n/a

SMILES

CCn1ncc(CN(C)C(c2cn(C(C(NCc3ccccc3)=O)(F)F)nn2)=O)c1C

InChI

InChI=1S/C20H23F2N7O2/c1-4-28-14(2)16(11-24-28)12-27(3)18(30)17-13-29(26-25-17)20(21,22)19(31)23-10-15-8-6-5-7-9-15/h5-9,11,13H,4,10,12H2,1-3H3,(H,23,31)

InChI Key

BVTLATXRGMEDQK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.397

Distribution Coefficient, logD

1.397

Water Solubility, LogSw

-1.94

Polar Surface Area

80.597

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

SD71-0037 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 SD71-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD71-0037?
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What is the minimum amount of SD71-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD71-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD71-0037
  • 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 SD71-0037 available by request