3330-4588 Screening compound: methyl 4-[({3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl}oxy)methyl]benzoate

3330-4588 Screening compound: methyl 4-[({3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl}oxy)methyl]benzoate
3330-4588 Screening compound: methyl 4-[({3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl}oxy)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-4588
methyl 4-[({3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl}oxy)methyl]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

3330-4588

Molecular Formula

C23H22O5 (C23 H22 O5)

Compound Name

methyl 4-[({3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl}oxy)methyl]benzoate

IUPAC name

methyl 4-[({3-methyl-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-1-yl}oxy)methyl]benzoate

SMILES

Cc1cc(OC(C2=C3CCCC2)=O)c3c(OCc(cc2)ccc2C(OC)=O)c1

InChI

InChI=1S/C23H22O5/c1-14-11-19(27-13-15-7-9-16(10-8-15)22(24)26-2)21-17-5-3-4-6-18(17)23(25)28-20(21)12-14/h7-12H,3-6,13H2,1-2H3

InChI Key

KSZPJENCAWKVLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02059493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.465

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-5.54

Polar Surface Area

49.569

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

3330-4588 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3330-4588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-4588?
Check Price and Availability of 3330-4588, 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 3330-4588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-4588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-4588
  • 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 3330-4588 available by request