SB29-1041 Screening compound: 1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-4-phenyl-1-butanone

SB29-1041 Screening compound: 1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-4-phenyl-1-butanone
SB29-1041 Screening compound: 1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-4-phenyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-1041
1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-4-phenyl-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

SB29-1041

Molecular Formula

C18H24N4O2 (C18 H24 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc([C@H](C[C@@H](C2)OC)N2C(CCCc2ccccc2)=O)n[nH]1

InChI

InChI=1S/C18H24N4O2/c1-13-19-18(21-20-13)16-11-15(24-2)12-22(16)17(23)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-12H2,1-2H3,(H,19,20,21)/t15-,16+/m1/s1

InChI Key

VTKUCKQWBHSAFZ-CVEARBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

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

2.611

Distribution Coefficient, logD

2.610

Water Solubility, LogSw

-2.85

Polar Surface Area

56.808

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SB29-1041 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with SB29-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-1041?
Check Price and Availability of SB29-1041, 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 SB29-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-1041
  • 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 SB29-1041 available by request