SB29-0240 Screening compound: 4-{[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-3,5-dimethylisoxazole

SB29-0240 Screening compound: 4-{[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-3,5-dimethylisoxazole
SB29-0240 Screening compound: 4-{[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-3,5-dimethylisoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0240
4-{[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-3,5-dimethylisoxazole

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

SB29-0240

Molecular Formula

C20H25N5O2 (C20 H25 N5 O2)

Compound Name

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

IUPAC name

3-[(2S4S)-4-(benzyloxy)-1-[(35-dimethyl-12-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1H-124-triazole

SMILES

Cc1noc(C)c1CN(C[C@H](C1)OCc2ccccc2)[C@@H]1c1n[nH]c(C)n1

InChI

InChI=1S/C20H25N5O2/c1-13-18(14(2)27-24-13)11-25-10-17(26-12-16-7-5-4-6-8-16)9-19(25)20-21-15(3)22-23-20/h4-8,17,19H,9-12H2,1-3H3,(H,21,22,23)/t17-,19+/m1/s1

InChI Key

ZIBMIGXJTNDGNR-MJGOQNOKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.371

Distribution Coefficient, logD

2.247

Water Solubility, LogSw

-2.60

Polar Surface Area

66.307

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.00

SB29-0240 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB29-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of SB29-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0240
  • 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 SB29-0240 available by request