SB96-0153 Screening compound: N-(1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}tetrahydro-1H-pyrrol-3-yl)-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide

SB96-0153 Screening compound: N-(1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}tetrahydro-1H-pyrrol-3-yl)-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide
SB96-0153 Screening compound: N-(1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}tetrahydro-1H-pyrrol-3-yl)-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB96-0153
N-(1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}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

SB96-0153

Molecular Formula

C18H27N5O5S (C18 H27 N5 O5 S)

Compound Name

N-(1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}tetrahydro-1H-pyrrol-3-yl)-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide

IUPAC name

N-{1-[4-(methoxymethyl)-5-methyl-12-oxazole-3-carbonyl]pyrrolidin-3-yl}-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide

SMILES

Cc1c(COC)c(C(N(CC2)CC2N(CCn2c(C)ncc2)S(C)(=O)=O)=O)no1

InChI

InChI=1S/C18H27N5O5S/c1-13-16(12-27-3)17(20-28-13)18(24)22-7-5-15(11-22)23(29(4,25)26)10-9-21-8-6-19-14(21)2/h6,8,15H,5,7,9-12H2,1-4H3/t15-/m0/s1

InChI Key

FFDZMEXLCHHPRI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32251533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.439

Distribution Coefficient, logD

-1.339

Water Solubility, LogSw

-1.32

Polar Surface Area

91.315

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SB96-0153 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB96-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB96-0153?
Check Price and Availability of SB96-0153, 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 SB96-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB96-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB96-0153
  • 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 SB96-0153 available by request