K673-0149 Screening compound: 1-{4-[(2-methylphenyl)methanesulfonyl]-3-nitrobenzoyl}pyrrolidine

K673-0149 Screening compound: 1-{4-[(2-methylphenyl)methanesulfonyl]-3-nitrobenzoyl}pyrrolidine
K673-0149 Screening compound: 1-{4-[(2-methylphenyl)methanesulfonyl]-3-nitrobenzoyl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K673-0149
1-{4-[(2-methylphenyl)methanesulfonyl]-3-nitrobenzoyl}pyrrolidine

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

K673-0149

Molecular Formula

C19H20N2O5S (C19 H20 N2 O5 S)

Compound Name

1-{4-[(2-methylphenyl)methanesulfonyl]-3-nitrobenzoyl}pyrrolidine

IUPAC name

1-{4-[(2-methylphenyl)methanesulfonyl]-3-nitrobenzoyl}pyrrolidine

SMILES

Cc1c(CS(c(ccc(C(N2CCCC2)=O)c2)c2[N+]([O-])=O)(=O)=O)cccc1

InChI

InChI=1S/C19H20N2O5S/c1-14-6-2-3-7-16(14)13-27(25,26)18-9-8-15(12-17(18)21(23)24)19(22)20-10-4-5-11-20/h2-3,6-9,12H,4-5,10-11,13H2,1H3

InChI Key

HRSBLSSDWABRFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.92

Polar Surface Area

79.098

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

-5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

K673-0149 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K673-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K673-0149?
Check Price and Availability of K673-0149, 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 K673-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K673-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K673-0149
  • 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 K673-0149 available by request