8001-2772 Screening compound: 3-[(3,4-dichlorophenyl)amino]-6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-one

8001-2772 Screening compound: 3-[(3,4-dichlorophenyl)amino]-6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-one
8001-2772 Screening compound: 3-[(3,4-dichlorophenyl)amino]-6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-2772
3-[(3,4-dichlorophenyl)amino]-6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-one

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

8001-2772

Molecular Formula

C16H13Cl2NO4 (C16 H13 Cl2 NO4)

Compound Name

3-[(3,4-dichlorophenyl)amino]-6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-one

IUPAC name

3-[(34-dichlorophenyl)amino]-67-dimethoxy-13-dihydro-2-benzofuran-1-one

SMILES

COc(ccc(C(Nc(cc1)cc(Cl)c1Cl)O1)c2C1=O)c2OC

InChI

InChI=1S/C16H13Cl2NO4/c1-21-12-6-4-9-13(14(12)22-2)16(20)23-15(9)19-8-3-5-10(17)11(18)7-8/h3-7,15,19H,1-2H3/t15-/m0/s1

InChI Key

SXUMOWZMRACTCC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00393703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.308

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.71

Polar Surface Area

47.795

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

8001-2772 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8001-2772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-2772?
Check Price and Availability of 8001-2772, 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 8001-2772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-2772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-2772
  • 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 8001-2772 available by request