3461-1675 Screening compound: N~2~-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-2-naphthalenesulfonamide

3461-1675 Screening compound: N~2~-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-2-naphthalenesulfonamide
3461-1675 Screening compound: N~2~-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-2-naphthalenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-1675
N~2~-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-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

3461-1675

Molecular Formula

C26H21NO3S (C26 H21 NO3 S)

Compound Name

N~2~-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-2-naphthalenesulfonamide

IUPAC name

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

SMILES

O=S(c1cc2ccccc2cc1)(Nc(c1ccccc11)cc2c1oc1c2CCCC1)=O

InChI

InChI=1S/C26H21NO3S/c28-31(29,19-14-13-17-7-1-2-8-18(17)15-19)27-24-16-23-21-10-5-6-12-25(21)30-26(23)22-11-4-3-9-20(22)24/h1-4,7-9,11,13-16,27H,5-6,10,12H2

InChI Key

ZVIOPFPWHPKWNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01911871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.253

Distribution Coefficient, logD

6.192

Water Solubility, LogSw

-7.35

Polar Surface Area

47.996

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

-7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

3461-1675 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3461-1675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-1675?
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What is the minimum amount of 3461-1675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-1675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-1675
  • 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 3461-1675 available by request