8006-4663 Screening compound: N-[3-({5-[({5-[(2-furylcarbonyl)amino]-2-methylphenyl}sulfonyl)amino]-2,3-dimethylanilino}sulfonyl)-4-methylphenyl]-2-furamide

8006-4663 Screening compound: N-[3-({5-[({5-[(2-furylcarbonyl)amino]-2-methylphenyl}sulfonyl)amino]-2,3-dimethylanilino}sulfonyl)-4-methylphenyl]-2-furamide
8006-4663 Screening compound: N-[3-({5-[({5-[(2-furylcarbonyl)amino]-2-methylphenyl}sulfonyl)amino]-2,3-dimethylanilino}sulfonyl)-4-methylphenyl]-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4663
N-[3-({5-[({5-[(2-furylcarbonyl)amino]-2-methylphenyl}sulfonyl)amino]-2,3-dimethylanilino}sulfonyl)-4-methylphenyl]-2-furamide

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

8006-4663

Molecular Formula

C32H30N4O8S2 (C32 H30 N4 O8 S2)

Compound Name

N-[3-({5-[({5-[(2-furylcarbonyl)amino]-2-methylphenyl}sulfonyl)amino]-2,3-dimethylanilino}sulfonyl)-4-methylphenyl]-2-furamide

IUPAC name

N-[3-({5-[5-(furan-2-amido)-2-methylbenzenesulfonamido]-23-dimethylphenyl}sulfamoyl)-4-methylphenyl]furan-2-carboxamide

SMILES

Cc(ccc(NC(c1ccco1)=O)c1)c1S(Nc1cc(NS(c2c(C)ccc(NC(c3ccco3)=O)c2)(=O)=O)c(C)c(C)c1)(=O)=O

InChI

InChI=1S/C32H30N4O8S2/c1-19-9-11-23(33-31(37)27-7-5-13-43-27)17-29(19)45(39,40)35-25-15-21(3)22(4)26(16-25)36-46(41,42)30-18-24(12-10-20(30)2)34-32(38)28-8-6-14-44-28/h5-18,35-36H,1-4H3,(H,33,37)(H,34,38)

InChI Key

KATVVJBBZYOOEK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

662.74

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.754

Distribution Coefficient, logD

5.692

Water Solubility, LogSw

-5.49

Polar Surface Area

144.179

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8006-4663 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 8006-4663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4663?
Check Price and Availability of 8006-4663, 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 8006-4663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4663
  • 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 8006-4663 available by request