SB29-0536 Screening compound: (2,4-dimethoxyphenyl)[(2S,4S)-4-[(3-methylbenzyl)oxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methanone

SB29-0536 Screening compound: (2,4-dimethoxyphenyl)[(2S,4S)-4-[(3-methylbenzyl)oxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methanone
SB29-0536 Screening compound: (2,4-dimethoxyphenyl)[(2S,4S)-4-[(3-methylbenzyl)oxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0536
(2,4-dimethoxyphenyl)[(2S,4S)-4-[(3-methylbenzyl)oxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methanone

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

SB29-0536

Molecular Formula

C24H28N4O4 (C24 H28 N4 O4)

Compound Name

(2,4-dimethoxyphenyl)[(2S,4S)-4-[(3-methylbenzyl)oxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methanone

IUPAC name

3-[(2S4S)-1-(24-dimethoxybenzoyl)-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl]-5-methyl-1H-124-triazole

SMILES

Cc1nc([C@H](C[C@@H](C2)OCc3cc(C)ccc3)N2C(c(ccc(OC)c2)c2OC)=O)n[nH]1

InChI

InChI=1S/C24H28N4O4/c1-15-6-5-7-17(10-15)14-32-19-11-21(23-25-16(2)26-27-23)28(13-19)24(29)20-9-8-18(30-3)12-22(20)31-4/h5-10,12,19,21H,11,13-14H2,1-4H3,(H,25,26,27)/t19-,21+/m1/s1

InChI Key

GDLOLVXRPUSIEO-CTNGQTDRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.641

Distribution Coefficient, logD

3.640

Water Solubility, LogSw

-3.96

Polar Surface Area

72.194

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

SB29-0536 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SB29-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-0536?
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What is the minimum amount of SB29-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0536
  • 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 SB29-0536 available by request