SB96-0060 Screening compound: N-[1-(3-methoxy-2-methylbenzoyl)tetrahydro-1H-pyrrol-3-yl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide

SB96-0060 Screening compound: N-[1-(3-methoxy-2-methylbenzoyl)tetrahydro-1H-pyrrol-3-yl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide
SB96-0060 Screening compound: N-[1-(3-methoxy-2-methylbenzoyl)tetrahydro-1H-pyrrol-3-yl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB96-0060
N-[1-(3-methoxy-2-methylbenzoyl)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

SB96-0060

Molecular Formula

C20H28N4O4S (C20 H28 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nccn1CCN(C(CC1)CN1C(c1c(C)c(OC)ccc1)=O)S(C)(=O)=O

InChI

InChI=1S/C20H28N4O4S/c1-15-18(6-5-7-19(15)28-3)20(25)23-10-8-17(14-23)24(29(4,26)27)13-12-22-11-9-21-16(22)2/h5-7,9,11,17H,8,10,12-14H2,1-4H3/t17-/m0/s1

InChI Key

HCOMKICBXAZQBM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32251172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.006

Distribution Coefficient, logD

0.107

Water Solubility, LogSw

-2.29

Polar Surface Area

68.290

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SB96-0060 in Drug Discovery

Included in Screening Libraries

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 SB96-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB96-0060?
Check Price and Availability of SB96-0060, 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 SB96-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB96-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB96-0060
  • 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 SB96-0060 available by request