SB20-1045 Screening compound: N-benzyl-1-({(2S)-1-[(2-methyl-1,3-oxazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide

SB20-1045 Screening compound: N-benzyl-1-({(2S)-1-[(2-methyl-1,3-oxazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
SB20-1045 Screening compound: N-benzyl-1-({(2S)-1-[(2-methyl-1,3-oxazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB20-1045
N-benzyl-1-({(2S)-1-[(2-methyl-1,3-oxazol-4-yl)carbonyl]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

SB20-1045

Molecular Formula

C20H22N6O3 (C20 H22 N6 O3)

Compound Name

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

IUPAC name

N-benzyl-1-{[(2S)-1-(2-methyl-13-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

Cc1nc(C(N2[C@H](Cn3nnc(C(NCc4ccccc4)=O)c3)CCC2)=O)co1

InChI

InChI=1S/C20H22N6O3/c1-14-22-18(13-29-14)20(28)26-9-5-8-16(26)11-25-12-17(23-24-25)19(27)21-10-15-6-3-2-4-7-15/h2-4,6-7,12-13,16H,5,8-11H2,1H3,(H,21,27)/t16-/m0/s1

InChI Key

ONOGLYDNNRXWDX-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.150

Distribution Coefficient, logD

1.150

Water Solubility, LogSw

-1.66

Polar Surface Area

85.794

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

SB20-1045 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB20-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB20-1045?
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What is the minimum amount of SB20-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB20-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB20-1045
  • 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 SB20-1045 available by request