4013-0400 Screening compound: N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide

4013-0400 Screening compound: N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide
4013-0400 Screening compound: N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4013-0400
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)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

4013-0400

Molecular Formula

C28H26N2O4S (C28 H26 N2 O4 S)

Compound Name

N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide

IUPAC name

N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide

SMILES

COc(cc1)ccc1N(CC(Cn1c(cccc2)c2c2c1cccc2)O)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C28H26N2O4S/c1-34-23-17-15-21(16-18-23)30(35(32,33)24-9-3-2-4-10-24)20-22(31)19-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h2-18,22,31H,19-20H2,1H3/t22-/m1/s1

InChI Key

RVKMFYITESTEIC-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03016090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.670

Distribution Coefficient, logD

5.670

Water Solubility, LogSw

-5.66

Polar Surface Area

56.931

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

4013-0400 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS targets activity set (6557 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4013-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4013-0400?
Check Price and Availability of 4013-0400, 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 4013-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4013-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4013-0400
  • 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 4013-0400 available by request