SB77-0951 Screening compound: (2S,4S)-1-(2-chlorobenzyl)-N~2~,N~2~-dimethyl-4-{[1-(methylsulfonyl)-4-piperidyl]oxy}tetrahydro-1H-pyrrole-2-carboxamide

SB77-0951 Screening compound: (2S,4S)-1-(2-chlorobenzyl)-N~2~,N~2~-dimethyl-4-{[1-(methylsulfonyl)-4-piperidyl]oxy}tetrahydro-1H-pyrrole-2-carboxamide
SB77-0951 Screening compound: (2S,4S)-1-(2-chlorobenzyl)-N~2~,N~2~-dimethyl-4-{[1-(methylsulfonyl)-4-piperidyl]oxy}tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB77-0951
(2S,4S)-1-(2-chlorobenzyl)-N~2~,N~2~-dimethyl-4-{[1-(methylsulfonyl)-4-piperidyl]oxy}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

SB77-0951

Molecular Formula

C20H30ClN3O4S (C20 H30 ClN3 O4 S)

Compound Name

(2S,4S)-1-(2-chlorobenzyl)-N~2~,N~2~-dimethyl-4-{[1-(methylsulfonyl)-4-piperidyl]oxy}tetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

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

SMILES

CN(C)C([C@H](C1)N(Cc(cccc2)c2Cl)C[C@H]1OC(CC1)CCN1S(C)(=O)=O)=O

InChI

InChI=1S/C20H30ClN3O4S/c1-22(2)20(25)19-12-17(14-23(19)13-15-6-4-5-7-18(15)21)28-16-8-10-24(11-9-16)29(3,26)27/h4-7,16-17,19H,8-14H2,1-3H3/t17-,19+/m1/s1

InChI Key

HQXODRMSUMMAHZ-MJGOQNOKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.073

Distribution Coefficient, logD

1.073

Water Solubility, LogSw

-2.54

Polar Surface Area

57.381

Acid Dissociation Constant (pKa)

19.75

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

SB77-0951 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 SB77-0951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB77-0951?
Check Price and Availability of SB77-0951, 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 SB77-0951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB77-0951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB77-0951
  • 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 SB77-0951 available by request