SB36-1184 Screening compound: N-benzyl-1-{[(2S)-1-(2-cyclopentylacetyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

SB36-1184 Screening compound: N-benzyl-1-{[(2S)-1-(2-cyclopentylacetyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
SB36-1184 Screening compound: N-benzyl-1-{[(2S)-1-(2-cyclopentylacetyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-1184
N-benzyl-1-{[(2S)-1-(2-cyclopentylacetyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]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

SB36-1184

Molecular Formula

C22H27F2N5O2 (C22 H27 F2 N5 O2)

Compound Name

N-benzyl-1-{[(2S)-1-(2-cyclopentylacetyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-benzyl-1-{[(2S)-1-(2-cyclopentylacetyl)-44-difluoropyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

O=C(CC1CCCC1)N(C1)[C@H](Cn2nnc(C(NCc3ccccc3)=O)c2)CC1(F)F

InChI

InChI=1S/C22H27F2N5O2/c23-22(24)11-18(29(15-22)20(30)10-16-6-4-5-7-16)13-28-14-19(26-27-28)21(31)25-12-17-8-2-1-3-9-17/h1-3,8-9,14,16,18H,4-7,10-13,15H2,(H,25,31)/t18-/m1/s1

InChI Key

KDQQWESYVXXDSM-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.822

Distribution Coefficient, logD

2.822

Water Solubility, LogSw

-3.19

Polar Surface Area

67.790

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

SB36-1184 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB36-1184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1184?
Check Price and Availability of SB36-1184, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB36-1184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1184
  • 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 SB36-1184 available by request