SB29-0128 Screening compound: (2,6-dimethoxy-3-pyridyl)[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methanone

SB29-0128 Screening compound: (2,6-dimethoxy-3-pyridyl)[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methanone
SB29-0128 Screening compound: (2,6-dimethoxy-3-pyridyl)[(2S,4S)-4-methoxy-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 SB29-0128
(2,6-dimethoxy-3-pyridyl)[(2S,4S)-4-methoxy-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

SB29-0128

Molecular Formula

C16H21N5O4 (C16 H21 N5 O4)

Compound Name

(2,6-dimethoxy-3-pyridyl)[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methanone

IUPAC name

26-dimethoxy-3-[(2S4S)-4-methoxy-2-(5-methyl-1H-124-triazol-3-yl)pyrrolidine-1-carbonyl]pyridine

SMILES

Cc1nc([C@H](C[C@@H](C2)OC)N2C(c(ccc(OC)n2)c2OC)=O)n[nH]1

InChI

InChI=1S/C16H21N5O4/c1-9-17-14(20-19-9)12-7-10(23-2)8-21(12)16(22)11-5-6-13(24-3)18-15(11)25-4/h5-6,10,12H,7-8H2,1-4H3,(H,17,19,20)/t10-,12+/m1/s1

InChI Key

GUGIANPLXXBVCB-PWSUYJOCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.631

Distribution Coefficient, logD

1.630

Water Solubility, LogSw

-2.30

Polar Surface Area

81.697

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SB29-0128 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB29-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-0128?
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What is the minimum amount of SB29-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0128
  • 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 SB29-0128 available by request