1682-7544 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoate

1682-7544 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoate
1682-7544 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-7544
4-methyl-2-oxo-2H-chromen-7-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoate

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

1682-7544

Molecular Formula

C27H19NO6 (C27 H19 NO6)

Compound Name

4-methyl-2-oxo-2H-chromen-7-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoate

IUPAC name

4-methyl-2-oxo-2H-chromen-7-yl 2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-phenylpropanoate

SMILES

CC(c(ccc(OC(C(Cc1ccccc1)N(C(c1c2cccc1)=O)C2=O)=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C27H19NO6/c1-16-13-24(29)34-23-15-18(11-12-19(16)23)33-27(32)22(14-17-7-3-2-4-8-17)28-25(30)20-9-5-6-10-21(20)26(28)31/h2-13,15,22H,14H2,1H3/t22-/m0/s1

InChI Key

RNNMXEMNIWIWQN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00226355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.663

Distribution Coefficient, logD

4.663

Water Solubility, LogSw

-4.77

Polar Surface Area

69.202

Acid Dissociation Constant (pKa)

19.25

Base Dissociation Constant (pKb)

-10.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

1682-7544 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1682-7544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-7544?
Check Price and Availability of 1682-7544, 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 1682-7544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-7544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-7544
  • 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 1682-7544 available by request