2712-1454 Screening compound: N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2,4,6-trimethyl-1-benzenesulfonamide

2712-1454 Screening compound: N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2,4,6-trimethyl-1-benzenesulfonamide
2712-1454 Screening compound: N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2,4,6-trimethyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-1454
N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2,4,6-trimethyl-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

2712-1454

Molecular Formula

C25H31NO3S (C25 H31 NO3 S)

Compound Name

N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2,4,6-trimethyl-1-benzenesulfonamide

IUPAC name

N-{12-tert-butyl-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-yl}-246-trimethylbenzene-1-sulfonamide

SMILES

CC(C)(C)C(CC1)Cc2c1oc(cc1)c2cc1NS(c1c(C)cc(C)cc1C)(=O)=O

InChI

InChI=1S/C25H31NO3S/c1-15-11-16(2)24(17(3)12-15)30(27,28)26-19-8-10-23-21(14-19)20-13-18(25(4,5)6)7-9-22(20)29-23/h8,10-12,14,18,26H,7,9,13H2,1-6H3/t18-/m1/s1

InChI Key

NKIMYSFCVVGLKZ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02344977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.59

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

7.455

Distribution Coefficient, logD

6.779

Water Solubility, LogSw

-5.76

Polar Surface Area

49.004

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

-10.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

2712-1454 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 2712-1454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-1454?
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What is the minimum amount of 2712-1454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-1454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-1454
  • 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 2712-1454 available by request