E973-0082 Screening compound: butyl 4-{[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]amino}benzoate

E973-0082 Screening compound: butyl 4-{[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]amino}benzoate
E973-0082 Screening compound: butyl 4-{[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E973-0082
butyl 4-{[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]amino}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

E973-0082

Molecular Formula

C27H25NO5 (C27 H25 NO5)

Compound Name

butyl 4-{[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]amino}benzoate

IUPAC name

butyl 4-{[2-(4-methoxyphenyl)-13-dioxo-23-dihydro-1H-inden-2-yl]amino}benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(C(c1c2cccc1)=O)(C2=O)c(cc1)ccc1OC)=O

InChI

InChI=1S/C27H25NO5/c1-3-4-17-33-26(31)18-9-13-20(14-10-18)28-27(19-11-15-21(32-2)16-12-19)24(29)22-7-5-6-8-23(22)25(27)30/h5-16,28H,3-4,17H2,1-2H3

InChI Key

ACNFLFVQPRRPIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.250

Distribution Coefficient, logD

6.250

Water Solubility, LogSw

-5.52

Polar Surface Area

65.724

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

-8.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E973-0082 in Drug Discovery

Included in Screening Libraries

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

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E973-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E973-0082?
Check Price and Availability of E973-0082, 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 E973-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E973-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E973-0082
  • 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 E973-0082 available by request