C200-7213 Screening compound: 3-[(6-methyl-2-oxo-2H-chromen-3-yl)sulfonyl]benzonitrile

C200-7213 Screening compound: 3-[(6-methyl-2-oxo-2H-chromen-3-yl)sulfonyl]benzonitrile
C200-7213 Screening compound: 3-[(6-methyl-2-oxo-2H-chromen-3-yl)sulfonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7213
3-[(6-methyl-2-oxo-2H-chromen-3-yl)sulfonyl]benzonitrile

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

C200-7213

Molecular Formula

C17H11NO4S (C17 H11 NO4 S)

Compound Name

3-[(6-methyl-2-oxo-2H-chromen-3-yl)sulfonyl]benzonitrile

IUPAC name

3-[(6-methyl-2-oxo-2H-chromen-3-yl)sulfonyl]benzonitrile

SMILES

Cc(cc1)cc(C=C2S(c3cc(C#N)ccc3)(=O)=O)c1OC2=O

InChI

InChI=1S/C17H11NO4S/c1-11-5-6-15-13(7-11)9-16(17(19)22-15)23(20,21)14-4-2-3-12(8-14)10-18/h2-9H,1H3

InChI Key

ZTFLGIHBVKIOIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-3.05

Polar Surface Area

67.717

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with C200-7213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7213?
Check Price and Availability of C200-7213, 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 C200-7213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7213
  • 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 C200-7213 available by request