SB36-0161 Screening compound: 1-[((2S)-4,4-difluoro-1-{[(4-fluorobenzyl)amino]carbonyl}tetrahydro-1H-pyrrol-2-yl)methyl]-N-methyl-1H-1,2,3-triazole-4-carboxamide

SB36-0161 Screening compound: 1-[((2S)-4,4-difluoro-1-{[(4-fluorobenzyl)amino]carbonyl}tetrahydro-1H-pyrrol-2-yl)methyl]-N-methyl-1H-1,2,3-triazole-4-carboxamide
SB36-0161 Screening compound: 1-[((2S)-4,4-difluoro-1-{[(4-fluorobenzyl)amino]carbonyl}tetrahydro-1H-pyrrol-2-yl)methyl]-N-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-0161
1-[((2S)-4,4-difluoro-1-{[(4-fluorobenzyl)amino]carbonyl}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

SB36-0161

Molecular Formula

C17H19F3N6O2 (C17 H19 F3 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CNC(c1cn(C[C@H](CC(C2)(F)F)N2C(NCc(cc2)ccc2F)=O)nn1)=O

InChI

InChI=1S/C17H19F3N6O2/c1-21-15(27)14-9-25(24-23-14)8-13-6-17(19,20)10-26(13)16(28)22-7-11-2-4-12(18)5-3-11/h2-5,9,13H,6-8,10H2,1H3,(H,21,27)(H,22,28)/t13-/m0/s1

InChI Key

XNPRKIBNTDWDPE-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.871

Distribution Coefficient, logD

0.871

Water Solubility, LogSw

-1.95

Polar Surface Area

78.324

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 SB36-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-0161?
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What is the minimum amount of SB36-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-0161
  • 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 SB36-0161 available by request