SB29-0271 Screening compound: 1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-2-ethyl-1-butanone

SB29-0271 Screening compound: 1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-2-ethyl-1-butanone
SB29-0271 Screening compound: 1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-2-ethyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0271
1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-2-ethyl-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

SB29-0271

Molecular Formula

C20H28N4O2 (C20 H28 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H28N4O2/c1-4-16(5-2)20(25)24-12-17(26-13-15-9-7-6-8-10-15)11-18(24)19-21-14(3)22-23-19/h6-10,16-18H,4-5,11-13H2,1-3H3,(H,21,22,23)/t17-,18+/m1/s1

InChI Key

XEEYMSOPJUMDHM-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

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

3.331

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-3.32

Polar Surface Area

57.291

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

SB29-0271 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 SB29-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-0271?
Check Price and Availability of SB29-0271, 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 SB29-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0271
  • 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 SB29-0271 available by request