SB77-0139 Screening compound: (2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-N,N-dimethyl-4-[(1-methyl-4-piperidyl)oxy]tetrahydro-1H-pyrrole-2-carboxamide

SB77-0139 Screening compound: (2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-N,N-dimethyl-4-[(1-methyl-4-piperidyl)oxy]tetrahydro-1H-pyrrole-2-carboxamide
SB77-0139 Screening compound: (2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-N,N-dimethyl-4-[(1-methyl-4-piperidyl)oxy]tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB77-0139
(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-N,N-dimethyl-4-[(1-methyl-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

SB77-0139

Molecular Formula

C19H32N4O3 (C19 H32 N4 O3)

Compound Name

(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-N,N-dimethyl-4-[(1-methyl-4-piperidyl)oxy]tetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

(2S4S)-1-[(35-dimethyl-12-oxazol-4-yl)methyl]-NN-dimethyl-4-[(1-methylpiperidin-4-yl)oxy]pyrrolidine-2-carboxamide

SMILES

Cc1noc(C)c1CN(C[C@H](C1)OC2CCN(C)CC2)[C@@H]1C(N(C)C)=O

InChI

InChI=1S/C19H32N4O3/c1-13-17(14(2)26-20-13)12-23-11-16(10-18(23)19(24)21(3)4)25-15-6-8-22(5)9-7-15/h15-16,18H,6-12H2,1-5H3/t16-,18+/m1/s1

InChI Key

FGKQVHVVIWLVFD-AEFFLSMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.292

Distribution Coefficient, logD

-2.588

Water Solubility, LogSw

0.16

Polar Surface Area

51.613

Acid Dissociation Constant (pKa)

20.54

Base Dissociation Constant (pKb)

9.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

78.95

SB77-0139 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB77-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB77-0139?
Check Price and Availability of SB77-0139, 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 SB77-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB77-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB77-0139
  • 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 SB77-0139 available by request