SB77-0659 Screening compound: (2S,4S)-4-[(1-acetyl-4-piperidyl)oxy]-1-(4-chlorobenzyl)-N~2~,N~2~-dimethyltetrahydro-1H-pyrrole-2-carboxamide

SB77-0659 Screening compound: (2S,4S)-4-[(1-acetyl-4-piperidyl)oxy]-1-(4-chlorobenzyl)-N~2~,N~2~-dimethyltetrahydro-1H-pyrrole-2-carboxamide
SB77-0659 Screening compound: (2S,4S)-4-[(1-acetyl-4-piperidyl)oxy]-1-(4-chlorobenzyl)-N~2~,N~2~-dimethyltetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB77-0659
(2S,4S)-4-[(1-acetyl-4-piperidyl)oxy]-1-(4-chlorobenzyl)-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

SB77-0659

Molecular Formula

C21H30ClN3O3 (C21 H30 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CC1)CCC1O[C@@H](C1)CN(Cc(cc2)ccc2Cl)[C@@H]1C(N(C)C)=O)=O

InChI

InChI=1S/C21H30ClN3O3/c1-15(26)24-10-8-18(9-11-24)28-19-12-20(21(27)23(2)3)25(14-19)13-16-4-6-17(22)7-5-16/h4-7,18-20H,8-14H2,1-3H3/t19-,20+/m1/s1

InChI Key

JORRPWVFOZQXIM-UXHICEINSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

407.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.257

Distribution Coefficient, logD

1.257

Water Solubility, LogSw

-2.45

Polar Surface Area

43.294

Acid Dissociation Constant (pKa)

19.75

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with SB77-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB77-0659?
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What is the minimum amount of SB77-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB77-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB77-0659
  • 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 SB77-0659 available by request