SB36-1273 Screening compound: 1-({(2S)-4,4-difluoro-1-[2-(2-fluorophenyl)acetyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide

SB36-1273 Screening compound: 1-({(2S)-4,4-difluoro-1-[2-(2-fluorophenyl)acetyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
SB36-1273 Screening compound: 1-({(2S)-4,4-difluoro-1-[2-(2-fluorophenyl)acetyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-1273
1-({(2S)-4,4-difluoro-1-[2-(2-fluorophenyl)acetyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-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

SB36-1273

Molecular Formula

C17H18F3N5O2 (C17 H18 F3 N5 O2)

Compound Name

1-({(2S)-4,4-difluoro-1-[2-(2-fluorophenyl)acetyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S)-44-difluoro-1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl}-N-methyl-1H-123-triazole-4-carboxamide

SMILES

CNC(c1cn(C[C@H](CC(C2)(F)F)N2C(Cc(cccc2)c2F)=O)nn1)=O

InChI

InChI=1S/C17H18F3N5O2/c1-21-16(27)14-9-24(23-22-14)8-12-7-17(19,20)10-25(12)15(26)6-11-4-2-3-5-13(11)18/h2-5,9,12H,6-8,10H2,1H3,(H,21,27)/t12-/m0/s1

InChI Key

YLLDSKRURVFITL-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.232

Distribution Coefficient, logD

1.232

Water Solubility, LogSw

-1.97

Polar Surface Area

67.654

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

References: we are preparing a list of scientific research reports with SB36-1273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1273?
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What is the minimum amount of SB36-1273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1273
  • 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 SB36-1273 available by request