8014-2590 Screening compound: 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(2E)-3-phenylprop-2-en-1-yl]-2,3-dihydro-1H-indol-2-one

8014-2590 Screening compound: 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(2E)-3-phenylprop-2-en-1-yl]-2,3-dihydro-1H-indol-2-one
8014-2590 Screening compound: 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(2E)-3-phenylprop-2-en-1-yl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2590
3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(2E)-3-phenylprop-2-en-1-yl]-2,3-dihydro-1H-indol-2-one

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

8014-2590

Molecular Formula

C27H25NO5 (C27 H25 NO5)

Compound Name

3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(2E)-3-phenylprop-2-en-1-yl]-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[2-(25-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(2E)-3-phenylprop-2-en-1-yl]-23-dihydro-1H-indol-2-one

SMILES

COc(cc1)cc(C(CC(c(cccc2)c2N2C/C=C/c3ccccc3)(C2=O)O)=O)c1OC

InChI

InChI=1S/C27H25NO5/c1-32-20-14-15-25(33-2)21(17-20)24(29)18-27(31)22-12-6-7-13-23(22)28(26(27)30)16-8-11-19-9-4-3-5-10-19/h3-15,17,31H,16,18H2,1-2H3/t27-/m0/s1

InChI Key

BVTBTEOQSKIQDO-MHZLTWQESA-N

MDL Number (MFCD)

MFCD03768487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.43

Polar Surface Area

59.195

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

8014-2590 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-2590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2590?
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What is the minimum amount of 8014-2590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2590
  • 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 8014-2590 available by request