4270-0402 Screening compound: methyl 2-[(8-benzoyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-4-methylpentanoate

4270-0402 Screening compound: methyl 2-[(8-benzoyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-4-methylpentanoate
4270-0402 Screening compound: methyl 2-[(8-benzoyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4270-0402
methyl 2-[(8-benzoyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-4-methylpentanoate

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

4270-0402

Molecular Formula

C24H24O6 (C24 H24 O6)

Compound Name

methyl 2-[(8-benzoyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-4-methylpentanoate

IUPAC name

methyl 2-[(8-benzoyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-4-methylpentanoate

SMILES

CC(C)CC(C(OC)=O)Oc1ccc(C(C)=CC(O2)=O)c2c1C(c1ccccc1)=O

InChI

InChI=1S/C24H24O6/c1-14(2)12-19(24(27)28-4)29-18-11-10-17-15(3)13-20(25)30-23(17)21(18)22(26)16-8-6-5-7-9-16/h5-11,13-14,19H,12H2,1-4H3/t19-/m0/s1

InChI Key

LBSDLGCDQMYPBH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03016566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.862

Distribution Coefficient, logD

4.862

Water Solubility, LogSw

-4.81

Polar Surface Area

61.730

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

4270-0402 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4270-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4270-0402?
Check Price and Availability of 4270-0402, 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 4270-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4270-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4270-0402
  • 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 4270-0402 available by request