SB77-0622 Screening compound: (2S,4S)-4-[(1-acetyl-4-piperidyl)oxy]-1-(4-ethoxy-3-methoxybenzyl)-N~2~,N~2~-dimethyltetrahydro-1H-pyrrole-2-carboxamide

SB77-0622 Screening compound: (2S,4S)-4-[(1-acetyl-4-piperidyl)oxy]-1-(4-ethoxy-3-methoxybenzyl)-N~2~,N~2~-dimethyltetrahydro-1H-pyrrole-2-carboxamide
SB77-0622 Screening compound: (2S,4S)-4-[(1-acetyl-4-piperidyl)oxy]-1-(4-ethoxy-3-methoxybenzyl)-N~2~,N~2~-dimethyltetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB77-0622
(2S,4S)-4-[(1-acetyl-4-piperidyl)oxy]-1-(4-ethoxy-3-methoxybenzyl)-N~2~,N~2~-dimethyltetrahydro-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

SB77-0622

Molecular Formula

C24H37N3O5 (C24 H37 N3 O5)

Compound Name

(2S,4S)-4-[(1-acetyl-4-piperidyl)oxy]-1-(4-ethoxy-3-methoxybenzyl)-N~2~,N~2~-dimethyltetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

(2S4S)-4-[(1-acetylpiperidin-4-yl)oxy]-1-[(4-ethoxy-3-methoxyphenyl)methyl]-NN-dimethylpyrrolidine-2-carboxamide

SMILES

CCOc(ccc(CN(C[C@H](C1)OC(CC2)CCN2C(C)=O)[C@@H]1C(N(C)C)=O)c1)c1OC

InChI

InChI=1S/C24H37N3O5/c1-6-31-22-8-7-18(13-23(22)30-5)15-27-16-20(14-21(27)24(29)25(3)4)32-19-9-11-26(12-10-19)17(2)28/h7-8,13,19-21H,6,9-12,14-16H2,1-5H3/t20-,21+/m1/s1

InChI Key

UOOACWQAAYKKFX-RTWAWAEBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.581

Distribution Coefficient, logD

0.579

Water Solubility, LogSw

-1.79

Polar Surface Area

58.135

Acid Dissociation Constant (pKa)

19.75

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

SB77-0622 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB77-0622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB77-0622?
Check Price and Availability of SB77-0622, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB77-0622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB77-0622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB77-0622
  • 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 SB77-0622 available by request