SB20-1001 Screening compound: N-benzyl-1-{[(2S)-1-(3-chlorobenzyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

SB20-1001 Screening compound: N-benzyl-1-{[(2S)-1-(3-chlorobenzyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
SB20-1001 Screening compound: N-benzyl-1-{[(2S)-1-(3-chlorobenzyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB20-1001
N-benzyl-1-{[(2S)-1-(3-chlorobenzyl)tetrahydro-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

SB20-1001

Molecular Formula

C22H24ClN5O (C22 H24 ClN5 O)

Compound Name

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

IUPAC name

N-benzyl-1-{[(2S)-1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

O=C(c1cn(C[C@H]2N(Cc3cccc(Cl)c3)CCC2)nn1)NCc1ccccc1

InChI

InChI=1S/C22H24ClN5O/c23-19-9-4-8-18(12-19)14-27-11-5-10-20(27)15-28-16-21(25-26-28)22(29)24-13-17-6-2-1-3-7-17/h1-4,6-9,12,16,20H,5,10-11,13-15H2,(H,24,29)/t20-/m0/s1

InChI Key

MMTICOUJIVVHDE-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.440

Distribution Coefficient, logD

3.371

Water Solubility, LogSw

-3.73

Polar Surface Area

55.075

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

SB20-1001 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB20-1001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB20-1001?
Check Price and Availability of SB20-1001, 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 SB20-1001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB20-1001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB20-1001
  • 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 SB20-1001 available by request