SB29-1027 Screening compound: [(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl][5-(3-methylphenyl)-1,3-oxazol-4-yl]methanone

SB29-1027 Screening compound: [(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl][5-(3-methylphenyl)-1,3-oxazol-4-yl]methanone
SB29-1027 Screening compound: [(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl][5-(3-methylphenyl)-1,3-oxazol-4-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-1027
[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl][5-(3-methylphenyl)-1,3-oxazol-4-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

SB29-1027

Molecular Formula

C19H21N5O3 (C19 H21 N5 O3)

Compound Name

[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl][5-(3-methylphenyl)-1,3-oxazol-4-yl]methanone

IUPAC name

3-[(2S4S)-4-methoxy-1-[5-(3-methylphenyl)-13-oxazole-4-carbonyl]pyrrolidin-2-yl]-5-methyl-1H-124-triazole

SMILES

Cc1nc([C@H](C[C@@H](C2)OC)N2C(c2c(-c3cc(C)ccc3)ocn2)=O)n[nH]1

InChI

InChI=1S/C19H21N5O3/c1-11-5-4-6-13(7-11)17-16(20-10-27-17)19(25)24-9-14(26-3)8-15(24)18-21-12(2)22-23-18/h4-7,10,14-15H,8-9H2,1-3H3,(H,21,22,23)/t14-,15+/m1/s1

InChI Key

YOEBVVIPFWLQIQ-CABCVRRESA-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

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.955

Distribution Coefficient, logD

1.954

Water Solubility, LogSw

-2.37

Polar Surface Area

76.172

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.84

SB29-1027 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 SB29-1027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-1027?
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What is the minimum amount of SB29-1027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-1027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-1027
  • 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 SB29-1027 available by request