SB29-0178 Screening compound: [(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl](1-phenylcyclopropyl)methanone

SB29-0178 Screening compound: [(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl](1-phenylcyclopropyl)methanone
SB29-0178 Screening compound: [(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl](1-phenylcyclopropyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0178
[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl](1-phenylcyclopropyl)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

SB29-0178

Molecular Formula

C18H22N4O2 (C18 H22 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc([C@H](C[C@@H](C2)OC)N2C(C2(CC2)c2ccccc2)=O)n[nH]1

InChI

InChI=1S/C18H22N4O2/c1-12-19-16(21-20-12)15-10-14(24-2)11-22(15)17(23)18(8-9-18)13-6-4-3-5-7-13/h3-7,14-15H,8-11H2,1-2H3,(H,19,20,21)/t14-,15+/m1/s1

InChI Key

BQYJNBHCQQFKRI-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.720

Distribution Coefficient, logD

1.718

Water Solubility, LogSw

-2.00

Polar Surface Area

57.587

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SB29-0178 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB29-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-0178?
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What is the minimum amount of SB29-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0178
  • 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 SB29-0178 available by request