SB96-0061 Screening compound: N-[1-(2-cyclohexylacetyl)tetrahydro-1H-pyrrol-3-yl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide

SB96-0061 Screening compound: N-[1-(2-cyclohexylacetyl)tetrahydro-1H-pyrrol-3-yl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide
SB96-0061 Screening compound: N-[1-(2-cyclohexylacetyl)tetrahydro-1H-pyrrol-3-yl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB96-0061
N-[1-(2-cyclohexylacetyl)tetrahydro-1H-pyrrol-3-yl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide

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

SB96-0061

Molecular Formula

C19H32N4O3S (C19 H32 N4 O3 S)

Compound Name

N-[1-(2-cyclohexylacetyl)tetrahydro-1H-pyrrol-3-yl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide

IUPAC name

N-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide

SMILES

Cc1nccn1CCN(C(CC1)CN1C(CC1CCCCC1)=O)S(C)(=O)=O

InChI

InChI=1S/C19H32N4O3S/c1-16-20-9-11-21(16)12-13-23(27(2,25)26)18-8-10-22(15-18)19(24)14-17-6-4-3-5-7-17/h9,11,17-18H,3-8,10,12-15H2,1-2H3/t18-/m0/s1

InChI Key

NCJDOOZGIUZACF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32251286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.555

Distribution Coefficient, logD

0.655

Water Solubility, LogSw

-1.92

Polar Surface Area

60.325

Acid Dissociation Constant (pKa)

24.54

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.95

SB96-0061 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SB96-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB96-0061?
Check Price and Availability of SB96-0061, 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 SB96-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB96-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB96-0061
  • 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 SB96-0061 available by request