SB29-0573 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S,4S)-4-[(3-methylbenzyl)oxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-1-propanone

SB29-0573 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S,4S)-4-[(3-methylbenzyl)oxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-1-propanone
SB29-0573 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S,4S)-4-[(3-methylbenzyl)oxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0573
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S,4S)-4-[(3-methylbenzyl)oxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-1-propanone

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

SB29-0573

Molecular Formula

C23H30N6O2 (C23 H30 N6 O2)

Compound Name

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

IUPAC name

3-(35-dimethyl-1H-pyrazol-1-yl)-1-[(2S4S)-2-(5-methyl-1H-124-triazol-3-yl)-4-[(3-methylphenyl)methoxy]pyrrolidin-1-yl]propan-1-one

SMILES

Cc1cc(C)nn1CCC(N(C[C@H](C1)OCc2cc(C)ccc2)[C@@H]1c1n[nH]c(C)n1)=O

InChI

InChI=1S/C23H30N6O2/c1-15-6-5-7-19(10-15)14-31-20-12-21(23-24-18(4)25-26-23)28(13-20)22(30)8-9-29-17(3)11-16(2)27-29/h5-7,10-11,20-21H,8-9,12-14H2,1-4H3,(H,24,25,26)/t20-,21+/m1/s1

InChI Key

YLUOQFSSMJLKIL-RTWAWAEBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.251

Distribution Coefficient, logD

2.249

Water Solubility, LogSw

-2.57

Polar Surface Area

70.477

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.83

SB29-0573 in Drug Discovery

Included in Screening Libraries

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

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 SB29-0573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-0573?
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What is the minimum amount of SB29-0573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0573
  • 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 SB29-0573 available by request