5591-2971 Screening compound: N~1~-acetyl-4-methoxy-N~1~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide

5591-2971 Screening compound: N~1~-acetyl-4-methoxy-N~1~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide
5591-2971 Screening compound: N~1~-acetyl-4-methoxy-N~1~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2971
N~1~-acetyl-4-methoxy-N~1~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-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

5591-2971

Molecular Formula

C21H21NO5S (C21 H21 NO5 S)

Compound Name

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

IUPAC name

N-(4-methoxybenzenesulfonyl)-N-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)246-tetraen-4-yl}acetamide

SMILES

CC(N(c(cc1)cc2c1oc1c2CCCC1)S(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C21H21NO5S/c1-14(23)22(28(24,25)17-10-8-16(26-2)9-11-17)15-7-12-21-19(13-15)18-5-3-4-6-20(18)27-21/h7-13H,3-6H2,1-2H3

InChI Key

OQVBJOHVUVTGLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.806

Distribution Coefficient, logD

3.806

Water Solubility, LogSw

-4.16

Polar Surface Area

61.945

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

-13.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5591-2971 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5591-2971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2971?
Check Price and Availability of 5591-2971, 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 5591-2971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2971
  • 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 5591-2971 available by request