2712-1465 Screening compound: N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2,5-dichloro-1-benzenesulfonamide

2712-1465 Screening compound: N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2,5-dichloro-1-benzenesulfonamide
2712-1465 Screening compound: N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2,5-dichloro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-1465
N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2,5-dichloro-1-benzenesulfonamide

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

2712-1465

Molecular Formula

C22H23Cl2NO3S (C22 H23 Cl2 NO3 S)

Compound Name

N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2,5-dichloro-1-benzenesulfonamide

IUPAC name

N-{12-tert-butyl-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-yl}-25-dichlorobenzene-1-sulfonamide

SMILES

CC(C)(C)C(CC1)Cc2c1oc(cc1)c2cc1NS(c(cc(cc1)Cl)c1Cl)(=O)=O

InChI

InChI=1S/C22H23Cl2NO3S/c1-22(2,3)13-4-8-19-16(10-13)17-12-15(6-9-20(17)28-19)25-29(26,27)21-11-14(23)5-7-18(21)24/h5-7,9,11-13,25H,4,8,10H2,1-3H3/t13-/m1/s1

InChI Key

XSDQVGQIZKDGDN-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD02344986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.783

Distribution Coefficient, logD

6.723

Water Solubility, LogSw

-6.57

Polar Surface Area

49.004

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-11.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

2712-1465 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 2712-1465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-1465?
Check Price and Availability of 2712-1465, 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 2712-1465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-1465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-1465
  • 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 2712-1465 available by request