SB29-0273 Screening compound: [(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl](5-methyl-3-isoxazolyl)methanone

SB29-0273 Screening compound: [(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl](5-methyl-3-isoxazolyl)methanone
SB29-0273 Screening compound: [(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl](5-methyl-3-isoxazolyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0273
[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl](5-methyl-3-isoxazolyl)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

SB29-0273

Molecular Formula

C19H21N5O3 (C19 H21 N5 O3)

Compound Name

[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl](5-methyl-3-isoxazolyl)methanone

IUPAC name

3-[(2S4S)-4-(benzyloxy)-1-(5-methyl-12-oxazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1H-124-triazole

SMILES

Cc1cc(C(N(C[C@H](C2)OCc3ccccc3)[C@@H]2c2n[nH]c(C)n2)=O)no1

InChI

InChI=1S/C19H21N5O3/c1-12-8-16(23-27-12)19(25)24-10-15(26-11-14-6-4-3-5-7-14)9-17(24)18-20-13(2)21-22-18/h3-8,15,17H,9-11H2,1-2H3,(H,20,21,22)/t15-,17+/m1/s1

InChI Key

AQCIRWZPZVSTBS-WBVHZDCISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.311

Distribution Coefficient, logD

2.310

Water Solubility, LogSw

-2.76

Polar Surface Area

78.248

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.84

SB29-0273 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 SB29-0273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-0273?
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What is the minimum amount of SB29-0273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0273
  • 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 SB29-0273 available by request