2712-1464 Screening compound: N~2~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2-naphthalenesulfonamide

2712-1464 Screening compound: N~2~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2-naphthalenesulfonamide
2712-1464 Screening compound: N~2~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2-naphthalenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-1464
N~2~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2-naphthalenesulfonamide

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

2712-1464

Molecular Formula

C26H27NO3S (C26 H27 NO3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)C(CC1)Cc2c1oc(cc1)c2cc1NS(c1cc2ccccc2cc1)(=O)=O

InChI

InChI=1S/C26H27NO3S/c1-26(2,3)19-9-12-24-22(15-19)23-16-20(10-13-25(23)30-24)27-31(28,29)21-11-8-17-6-4-5-7-18(17)14-21/h4-8,10-11,13-14,16,19,27H,9,12,15H2,1-3H3/t19-/m1/s1

InChI Key

TXXNOZXSYMJCNG-LJQANCHMSA-N

MDL Number (MFCD)

MFCD02344985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.57

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

7.045

Distribution Coefficient, logD

6.828

Water Solubility, LogSw

-6.85

Polar Surface Area

48.732

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

-10.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

2712-1464 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2712-1464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-1464?
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What is the minimum amount of 2712-1464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-1464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-1464
  • 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 2712-1464 available by request