2332-0539 Screening compound: ethyl 5-[4-(dimethylsulfamoyl)benzoyloxy]-2-phenylnaphtho[1,2-b]furan-3-carboxylate

2332-0539 Screening compound: ethyl 5-[4-(dimethylsulfamoyl)benzoyloxy]-2-phenylnaphtho[1,2-b]furan-3-carboxylate
2332-0539 Screening compound: ethyl 5-[4-(dimethylsulfamoyl)benzoyloxy]-2-phenylnaphtho[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-0539
ethyl 5-[4-(dimethylsulfamoyl)benzoyloxy]-2-phenylnaphtho[1,2-b]furan-3-carboxylate

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

2332-0539

Molecular Formula

C30H25NO7S (C30 H25 NO7 S)

Compound Name

ethyl 5-[4-(dimethylsulfamoyl)benzoyloxy]-2-phenylnaphtho[1,2-b]furan-3-carboxylate

IUPAC name

ethyl 5-[4-(dimethylsulfamoyl)benzoyloxy]-2-phenylnaphtho[12-b]furan-3-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)oc(c2ccccc22)c1cc2OC(c(cc1)ccc1S(N(C)C)(=O)=O)=O)=O

InChI

InChI=1S/C30H25NO7S/c1-4-36-30(33)26-24-18-25(37-29(32)20-14-16-21(17-15-20)39(34,35)31(2)3)22-12-8-9-13-23(22)28(24)38-27(26)19-10-6-5-7-11-19/h5-18H,4H2,1-3H3

InChI Key

JCDRRNIZDBIEJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.001

Distribution Coefficient, logD

6.001

Water Solubility, LogSw

-5.85

Polar Surface Area

83.336

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

2332-0539 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 2332-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-0539?
Check Price and Availability of 2332-0539, 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 2332-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-0539
  • 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 2332-0539 available by request