SB77-0598 Screening compound: (2S,4S)-4-[(1-acetyl-4-piperidyl)oxy]-N~2~,N~2~-dimethyl-1-(3-phenylpropyl)tetrahydro-1H-pyrrole-2-carboxamide

SB77-0598 Screening compound: (2S,4S)-4-[(1-acetyl-4-piperidyl)oxy]-N~2~,N~2~-dimethyl-1-(3-phenylpropyl)tetrahydro-1H-pyrrole-2-carboxamide
SB77-0598 Screening compound: (2S,4S)-4-[(1-acetyl-4-piperidyl)oxy]-N~2~,N~2~-dimethyl-1-(3-phenylpropyl)tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB77-0598
(2S,4S)-4-[(1-acetyl-4-piperidyl)oxy]-N~2~,N~2~-dimethyl-1-(3-phenylpropyl)tetrahydro-1H-pyrrole-2-carboxamide

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

SB77-0598

Molecular Formula

C23H35N3O3 (C23 H35 N3 O3)

Compound Name

(2S,4S)-4-[(1-acetyl-4-piperidyl)oxy]-N~2~,N~2~-dimethyl-1-(3-phenylpropyl)tetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

(2S4S)-4-[(1-acetylpiperidin-4-yl)oxy]-NN-dimethyl-1-(3-phenylpropyl)pyrrolidine-2-carboxamide

SMILES

CC(N(CC1)CCC1O[C@@H](C1)CN(CCCc2ccccc2)[C@@H]1C(N(C)C)=O)=O

InChI

InChI=1S/C23H35N3O3/c1-18(27)25-14-11-20(12-15-25)29-21-16-22(23(28)24(2)3)26(17-21)13-7-10-19-8-5-4-6-9-19/h4-6,8-9,20-22H,7,10-17H2,1-3H3/t21-,22+/m1/s1

InChI Key

JYKPHYANLLYYGX-YADHBBJMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

401.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.408

Distribution Coefficient, logD

1.408

Water Solubility, LogSw

-1.60

Polar Surface Area

43.272

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.22

SB77-0598 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with SB77-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB77-0598?
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What is the minimum amount of SB77-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB77-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB77-0598
  • 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 SB77-0598 available by request