SB29-0272 Screening compound: 1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-3-methyl-1-butanone

SB29-0272 Screening compound: 1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-3-methyl-1-butanone
SB29-0272 Screening compound: 1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-3-methyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0272
1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-3-methyl-1-butanone

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

SB29-0272

Molecular Formula

C19H26N4O2 (C19 H26 N4 O2)

Compound Name

1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-3-methyl-1-butanone

IUPAC name

1-[(2S4S)-4-(benzyloxy)-2-(5-methyl-1H-124-triazol-3-yl)pyrrolidin-1-yl]-3-methylbutan-1-one

SMILES

CC(C)CC(N(C[C@H](C1)OCc2ccccc2)[C@@H]1c1n[nH]c(C)n1)=O

InChI

InChI=1S/C19H26N4O2/c1-13(2)9-18(24)23-11-16(25-12-15-7-5-4-6-8-15)10-17(23)19-20-14(3)21-22-19/h4-8,13,16-17H,9-12H2,1-3H3,(H,20,21,22)/t16-,17+/m1/s1

InChI Key

FFNVJDHBRWNEQY-SJORKVTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.859

Distribution Coefficient, logD

2.857

Water Solubility, LogSw

-3.16

Polar Surface Area

56.763

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.63

SB29-0272 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with SB29-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-0272?
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What is the minimum amount of SB29-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0272
  • 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 SB29-0272 available by request