4068-0069 Screening compound: 2-(4-acetamidobenzenesulfonyl)-4-(furan-2-carbonyloxy)phenyl furan-2-carboxylate

4068-0069 Screening compound: 2-(4-acetamidobenzenesulfonyl)-4-(furan-2-carbonyloxy)phenyl furan-2-carboxylate
4068-0069 Screening compound: 2-(4-acetamidobenzenesulfonyl)-4-(furan-2-carbonyloxy)phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4068-0069
2-(4-acetamidobenzenesulfonyl)-4-(furan-2-carbonyloxy)phenyl furan-2-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

4068-0069

Molecular Formula

C24H17NO9S (C24 H17 NO9 S)

Compound Name

2-(4-acetamidobenzenesulfonyl)-4-(furan-2-carbonyloxy)phenyl furan-2-carboxylate

IUPAC name

2-(4-acetamidobenzenesulfonyl)-4-(furan-2-carbonyloxy)phenyl furan-2-carboxylate

SMILES

CC(Nc(cc1)ccc1S(c(cc(cc1)OC(c2ccco2)=O)c1OC(c1ccco1)=O)(=O)=O)=O

InChI

InChI=1S/C24H17NO9S/c1-15(26)25-16-6-9-18(10-7-16)35(29,30)22-14-17(33-23(27)20-4-2-12-31-20)8-11-19(22)34-24(28)21-5-3-13-32-21/h2-14H,1H3,(H,25,26)

InChI Key

FGLCHWPGLWWHSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02766415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.47

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.650

Distribution Coefficient, logD

2.650

Water Solubility, LogSw

-3.23

Polar Surface Area

111.000

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

4068-0069 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4068-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4068-0069?
Check Price and Availability of 4068-0069, 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 4068-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4068-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4068-0069
  • 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 4068-0069 available by request