SB20-0092 Screening compound: N-cyclopentyl-1-{[(2S)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

SB20-0092 Screening compound: N-cyclopentyl-1-{[(2S)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
SB20-0092 Screening compound: N-cyclopentyl-1-{[(2S)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB20-0092
N-cyclopentyl-1-{[(2S)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)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

SB20-0092

Molecular Formula

C19H29N5O3 (C19 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCOCC1)N1[C@H](Cn2nnc(C(NC3CCCC3)=O)c2)CCC1

InChI

InChI=1S/C19H29N5O3/c25-18(20-15-4-1-2-5-15)17-13-23(22-21-17)12-16-6-3-9-24(16)19(26)14-7-10-27-11-8-14/h13-16H,1-12H2,(H,20,25)/t16-/m0/s1

InChI Key

TXHHLDDVWQXSNP-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.193

Distribution Coefficient, logD

1.193

Water Solubility, LogSw

-1.61

Polar Surface Area

76.017

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.95

SB20-0092 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB20-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB20-0092?
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What is the minimum amount of SB20-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB20-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB20-0092
  • 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 SB20-0092 available by request