3461-1641 Screening compound: N~1~-(7-methyl-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-3-nitro-1-benzenesulfonamide

3461-1641 Screening compound: N~1~-(7-methyl-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-3-nitro-1-benzenesulfonamide
3461-1641 Screening compound: N~1~-(7-methyl-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-3-nitro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-1641
N~1~-(7-methyl-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-3-nitro-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

3461-1641

Molecular Formula

C19H18N2O5S (C19 H18 N2 O5 S)

Compound Name

N~1~-(7-methyl-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-3-nitro-1-benzenesulfonamide

IUPAC name

N-{11-methyl-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-yl}-3-nitrobenzene-1-sulfonamide

SMILES

CC(CC1)Cc2c1c(cc(cc1)NS(c3cc([N+]([O-])=O)ccc3)(=O)=O)c1o2

InChI

InChI=1S/C19H18N2O5S/c1-12-5-7-16-17-10-13(6-8-18(17)26-19(16)9-12)20-27(24,25)15-4-2-3-14(11-15)21(22)23/h2-4,6,8,10-12,20H,5,7,9H2,1H3/t12-/m1/s1

InChI Key

AWOSPXXUNRKQNP-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD02345008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.604

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.42

Polar Surface Area

82.385

Acid Dissociation Constant (pKa)

6.98

Base Dissociation Constant (pKb)

-12.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

3461-1641 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3461-1641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-1641?
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What is the minimum amount of 3461-1641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-1641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-1641
  • 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 3461-1641 available by request