C278-0006 Screening compound: methyl 2-(2-acetamido-4-methanesulfonylbutanamido)benzoate

C278-0006 Screening compound: methyl 2-(2-acetamido-4-methanesulfonylbutanamido)benzoate
C278-0006 Screening compound: methyl 2-(2-acetamido-4-methanesulfonylbutanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C278-0006
methyl 2-(2-acetamido-4-methanesulfonylbutanamido)benzoate

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

C278-0006

Molecular Formula

C15H20N2O6S (C15 H20 N2 O6 S)

Compound Name

methyl 2-(2-acetamido-4-methanesulfonylbutanamido)benzoate

IUPAC name

methyl 2-(2-acetamido-4-methanesulfonylbutanamido)benzoate

SMILES

CC(NC(CCS(C)(=O)=O)C(Nc(cccc1)c1C(OC)=O)=O)=O

InChI

InChI=1S/C15H20N2O6S/c1-10(18)16-13(8-9-24(3,21)22)14(19)17-12-7-5-4-6-11(12)15(20)23-2/h4-7,13H,8-9H2,1-3H3,(H,16,18)(H,17,19)/t13-/m0/s1

InChI Key

XBPSXGZLIOMLQY-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04462345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.103

Distribution Coefficient, logD

0.067

Water Solubility, LogSw

-2.14

Polar Surface Area

97.304

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C278-0006 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C278-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C278-0006?
Check Price and Availability of C278-0006, 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 C278-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C278-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C278-0006
  • 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 C278-0006 available by request