2548-0692 Screening compound: [(1Z)-3-chloro-2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino benzoate

2548-0692 Screening compound: [(1Z)-3-chloro-2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino benzoate
2548-0692 Screening compound: [(1Z)-3-chloro-2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2548-0692
[(1Z)-3-chloro-2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino 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

2548-0692

Molecular Formula

C17H16ClNO3 (C17 H16 ClNO3)

Compound Name

[(1Z)-3-chloro-2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino benzoate

IUPAC name

[(1Z)-3-chloro-2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-25-dien-1-ylidene]amino benzoate

SMILES

CC(C)C(C(C(Cl)=C1C)=O)=C/C1=N/OC(c1ccccc1)=O

InChI

InChI=1S/C17H16ClNO3/c1-10(2)13-9-14(11(3)15(18)16(13)20)19-22-17(21)12-7-5-4-6-8-12/h4-10H,1-3H3

InChI Key

IBOCWLYYSLJPHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01793365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.443

Distribution Coefficient, logD

4.443

Water Solubility, LogSw

-4.54

Polar Surface Area

44.900

Acid Dissociation Constant (pKa)

30.60

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 2548-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2548-0692?
Check Price and Availability of 2548-0692, 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 2548-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2548-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2548-0692
  • 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 2548-0692 available by request