2712-1554 Screening compound: 4-(tert-butyl)-N~1~-[8-(tert-butyl)-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl]-1-benzenesulfonamide

2712-1554 Screening compound: 4-(tert-butyl)-N~1~-[8-(tert-butyl)-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl]-1-benzenesulfonamide
2712-1554 Screening compound: 4-(tert-butyl)-N~1~-[8-(tert-butyl)-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-1554
4-(tert-butyl)-N~1~-[8-(tert-butyl)-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl]-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

2712-1554

Molecular Formula

C30H35NO3S (C30 H35 NO3 S)

Compound Name

4-(tert-butyl)-N~1~-[8-(tert-butyl)-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl]-1-benzenesulfonamide

IUPAC name

4-tert-butyl-N-{13-tert-butyl-17-oxatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(10)2(7)35811(16)-hexaen-8-yl}benzene-1-sulfonamide

SMILES

CC(C)(C)C(CC1)Cc2c1oc(c1ccccc11)c2cc1NS(c1ccc(C(C)(C)C)cc1)(=O)=O

InChI

InChI=1S/C30H35NO3S/c1-29(2,3)19-11-14-21(15-12-19)35(32,33)31-26-18-25-24-17-20(30(4,5)6)13-16-27(24)34-28(25)23-10-8-7-9-22(23)26/h7-12,14-15,18,20,31H,13,16-17H2,1-6H3/t20-/m1/s1

InChI Key

SGRSJJOIUWFFAM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD02345054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.699

Distribution Coefficient, logD

8.685

Water Solubility, LogSw

-6.06

Polar Surface Area

48.267

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-7.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 2712-1554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-1554?
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What is the minimum amount of 2712-1554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-1554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-1554
  • 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 2712-1554 available by request