SB29-0239 Screening compound: 3-{(2S,4S)-4-(benzyloxy)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-2-yl}-5-methyl-1H-1,2,4-triazole

SB29-0239 Screening compound: 3-{(2S,4S)-4-(benzyloxy)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-2-yl}-5-methyl-1H-1,2,4-triazole
SB29-0239 Screening compound: 3-{(2S,4S)-4-(benzyloxy)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-2-yl}-5-methyl-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0239
3-{(2S,4S)-4-(benzyloxy)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-2-yl}-5-methyl-1H-1,2,4-triazole

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

SB29-0239

Molecular Formula

C21H28N6O (C21 H28 N6 O)

Compound Name

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

IUPAC name

3-[(2S4S)-4-(benzyloxy)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1H-124-triazole

SMILES

CCn1ncc(CN(C[C@H](C2)OCc3ccccc3)[C@@H]2c2n[nH]c(C)n2)c1C

InChI

InChI=1S/C21H28N6O/c1-4-27-15(2)18(11-22-27)12-26-13-19(28-14-17-8-6-5-7-9-17)10-20(26)21-23-16(3)24-25-21/h5-9,11,19-20H,4,10,12-14H2,1-3H3,(H,23,24,25)/t19-,20+/m0/s1

InChI Key

LEKKQIMBQXIDCS-VQTJNVASSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.186

Distribution Coefficient, logD

-0.185

Water Solubility, LogSw

-2.33

Polar Surface Area

58.194

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

9.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.62

SB29-0239 in Drug Discovery

Included in Screening Libraries

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 SB29-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-0239?
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What is the minimum amount of SB29-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0239
  • 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 SB29-0239 available by request