Y040-2491 Screening compound: 2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 3-methoxybenzoate

Y040-2491 Screening compound: 2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 3-methoxybenzoate
Y040-2491 Screening compound: 2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 3-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2491
2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 3-methoxybenzoate

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

Y040-2491

Molecular Formula

C21H17ClO5 (C21 H17 ClO5)

Compound Name

2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 3-methoxybenzoate

IUPAC name

2-chloro-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl 3-methoxybenzoate

SMILES

COc1cccc(C(Oc(cc(c(C2=C3CCCC2)c2)OC3=O)c2Cl)=O)c1

InChI

InChI=1S/C21H17ClO5/c1-25-13-6-4-5-12(9-13)20(23)27-19-11-18-16(10-17(19)22)14-7-2-3-8-15(14)21(24)26-18/h4-6,9-11H,2-3,7-8H2,1H3

InChI Key

ANFJINYVBCDZAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03687254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.011

Distribution Coefficient, logD

5.011

Water Solubility, LogSw

-5.30

Polar Surface Area

49.089

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

Y040-2491 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-2491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2491?
Check Price and Availability of Y040-2491, 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 Y040-2491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2491
  • 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 Y040-2491 available by request