4477-0477 Screening compound: 3,4-dimethyl 5-(4-bromophenyl)-1',3'-dioxo-1',3'-dihydro-5H-spiro[furan-2,2'-indene]-3,4-dicarboxylate

4477-0477 Screening compound: 3,4-dimethyl 5-(4-bromophenyl)-1',3'-dioxo-1',3'-dihydro-5H-spiro[furan-2,2'-indene]-3,4-dicarboxylate
4477-0477 Screening compound: 3,4-dimethyl 5-(4-bromophenyl)-1',3'-dioxo-1',3'-dihydro-5H-spiro[furan-2,2'-indene]-3,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-0477
3,4-dimethyl 5-(4-bromophenyl)-1',3'-dioxo-1',3'-dihydro-5H-spiro[furan-2,2'-indene]-3,4-dicarboxylate

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

4477-0477

Molecular Formula

C22H15BrO7 (C22 H15 BrO7)

Compound Name

3,4-dimethyl 5-(4-bromophenyl)-1',3'-dioxo-1',3'-dihydro-5H-spiro[furan-2,2'-indene]-3,4-dicarboxylate

IUPAC name

34-dimethyl 5-(4-bromophenyl)-1'3'-dioxo-1'3'-dihydro-5H-spiro[furan-22'-indene]-34-dicarboxylate

SMILES

COC(C(C(c(cc1)ccc1Br)OC1(C(c2c3cccc2)=O)C3=O)=C1C(OC)=O)=O

InChI

InChI=1S/C22H15BrO7/c1-28-20(26)15-16(21(27)29-2)22(30-17(15)11-7-9-12(23)10-8-11)18(24)13-5-3-4-6-14(13)19(22)25/h3-10,17H,1-2H3/t17-/m1/s1

InChI Key

OZRLAYAZXUTWPD-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00521219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.26

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.036

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-4.38

Polar Surface Area

77.441

Acid Dissociation Constant (pKa)

18.72

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

4477-0477 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4477-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0477?
Check Price and Availability of 4477-0477, 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 4477-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0477
  • 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 4477-0477 available by request