3461-0823 Screening compound: 4-ethoxy-N-[9-(4-ethoxybenzenesulfonyl)-2,2-dimethyl-4-oxo-2,3,4,9-tetrahydro-1H-carbazol-6-yl]benzene-1-sulfonamide

3461-0823 Screening compound: 4-ethoxy-N-[9-(4-ethoxybenzenesulfonyl)-2,2-dimethyl-4-oxo-2,3,4,9-tetrahydro-1H-carbazol-6-yl]benzene-1-sulfonamide
3461-0823 Screening compound: 4-ethoxy-N-[9-(4-ethoxybenzenesulfonyl)-2,2-dimethyl-4-oxo-2,3,4,9-tetrahydro-1H-carbazol-6-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-0823
4-ethoxy-N-[9-(4-ethoxybenzenesulfonyl)-2,2-dimethyl-4-oxo-2,3,4,9-tetrahydro-1H-carbazol-6-yl]benzene-1-sulfonamide

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

3461-0823

Molecular Formula

C30H32N2O7S2 (C30 H32 N2 O7 S2)

Compound Name

4-ethoxy-N-[9-(4-ethoxybenzenesulfonyl)-2,2-dimethyl-4-oxo-2,3,4,9-tetrahydro-1H-carbazol-6-yl]benzene-1-sulfonamide

IUPAC name

4-ethoxy-N-[9-(4-ethoxybenzenesulfonyl)-22-dimethyl-4-oxo-2349-tetrahydro-1H-carbazol-6-yl]benzene-1-sulfonamide

SMILES

CCOc(cc1)ccc1S(Nc(cc1)cc(c2c3CC(C)(C)CC2=O)c1n3S(c(cc1)ccc1OCC)(=O)=O)(=O)=O

InChI

InChI=1S/C30H32N2O7S2/c1-5-38-21-8-12-23(13-9-21)40(34,35)31-20-7-16-26-25(17-20)29-27(18-30(3,4)19-28(29)33)32(26)41(36,37)24-14-10-22(11-15-24)39-6-2/h7-17,31H,5-6,18-19H2,1-4H3

InChI Key

SZWAQEBFNSTNEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01164899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.73

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.758

Distribution Coefficient, logD

5.703

Water Solubility, LogSw

-5.62

Polar Surface Area

95.876

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-13.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

3461-0823 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 3461-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-0823?
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What is the minimum amount of 3461-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-0823
  • 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 3461-0823 available by request