4180-4030 Screening compound: 2-chloro-5-[5-({2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene}methyl)furan-2-yl]benzoic acid

4180-4030 Screening compound: 2-chloro-5-[5-({2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene}methyl)furan-2-yl]benzoic acid
4180-4030 Screening compound: 2-chloro-5-[5-({2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene}methyl)furan-2-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4180-4030
2-chloro-5-[5-({2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene}methyl)furan-2-yl]benzoic acid

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

4180-4030

Molecular Formula

C21H17ClO7 (C21 H17 ClO7)

Compound Name

2-chloro-5-[5-({2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene}methyl)furan-2-yl]benzoic acid

IUPAC name

2-chloro-5-[5-({24-dioxo-15-dioxaspiro[5.5]undecan-3-ylidene}methyl)furan-2-yl]benzoic acid

SMILES

OC(c(cc(cc1)-c2ccc(C=C(C(OC3(CCCCC3)O3)=O)C3=O)o2)c1Cl)=O

InChI

InChI=1S/C21H17ClO7/c22-16-6-4-12(10-14(16)18(23)24)17-7-5-13(27-17)11-15-19(25)28-21(29-20(15)26)8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,23,24)

InChI Key

IFERGGRRAKQXDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01970476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.81

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.479

Distribution Coefficient, logD

0.049

Water Solubility, LogSw

-4.35

Polar Surface Area

76.307

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4180-4030 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 4180-4030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4180-4030?
Check Price and Availability of 4180-4030, 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 4180-4030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4180-4030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4180-4030
  • 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 4180-4030 available by request