3461-1614 Screening compound: N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-4-chloro-1-benzenesulfonamide

3461-1614 Screening compound: N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-4-chloro-1-benzenesulfonamide
3461-1614 Screening compound: N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-4-chloro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-1614
N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-4-chloro-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

3461-1614

Molecular Formula

C22H24ClNO3S (C22 H24 ClNO3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)C(CC1)Cc2c1oc(cc1)c2cc1NS(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C22H24ClNO3S/c1-22(2,3)14-4-10-20-18(12-14)19-13-16(7-11-21(19)27-20)24-28(25,26)17-8-5-15(23)6-9-17/h5-9,11,13-14,24H,4,10,12H2,1-3H3/t14-/m1/s1

InChI Key

DTDATWSAEBNUFM-CQSZACIVSA-N

MDL Number (MFCD)

MFCD02344983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.96

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

6.617

Distribution Coefficient, logD

6.475

Water Solubility, LogSw

-6.49

Polar Surface Area

49.004

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-11.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 3461-1614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-1614?
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What is the minimum amount of 3461-1614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-1614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-1614
  • 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 3461-1614 available by request