2551-0127 Screening compound: N~1~-[8-(tert-butyl)-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl]-4-methyl-1-benzenesulfonamide

2551-0127 Screening compound: N~1~-[8-(tert-butyl)-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl]-4-methyl-1-benzenesulfonamide
2551-0127 Screening compound: N~1~-[8-(tert-butyl)-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl]-4-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2551-0127
N~1~-[8-(tert-butyl)-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl]-4-methyl-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

2551-0127

Molecular Formula

C27H29NO3S (C27 H29 NO3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C27H29NO3S/c1-17-9-12-19(13-10-17)32(29,30)28-24-16-23-22-15-18(27(2,3)4)11-14-25(22)31-26(23)21-8-6-5-7-20(21)24/h5-10,12-13,16,18,28H,11,14-15H2,1-4H3/t18-/m1/s1

InChI Key

RBEMTVLQFMOKBA-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01911873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.6

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

7.328

Distribution Coefficient, logD

7.314

Water Solubility, LogSw

-6.01

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

33.30

References: we are preparing a list of scientific research reports with 2551-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2551-0127?
Check Price and Availability of 2551-0127, 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 2551-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2551-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2551-0127
  • 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 2551-0127 available by request