K784-8501 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-3-{[(2,5-dimethoxyphenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K784-8501 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-3-{[(2,5-dimethoxyphenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K784-8501 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-3-{[(2,5-dimethoxyphenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8501
N~1~-(3,4-dimethoxyphenethyl)-3-{[(2,5-dimethoxyphenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

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

K784-8501

Molecular Formula

C36H40N4O8S (C36 H40 N4 O8 S)

Compound Name

N~1~-(3,4-dimethoxyphenethyl)-3-{[(2,5-dimethoxyphenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

3-(25-dimethoxybenzenesulfonamido)-N-[2-(34-dimethoxyphenyl)ethyl]-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

COc(cc1)cc(S(Nc(cc(cc2)C(NCCc(cc3)cc(OC)c3OC)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)(=O)=O)c1OC

InChI

InChI=1S/C36H40N4O8S/c1-45-27-10-13-32(47-3)34(19-27)49(43,44)38-28-18-25(36(42)37-15-14-23-8-12-31(46-2)33(17-23)48-4)9-11-30(28)39-20-24-16-26(22-39)29-6-5-7-35(41)40(29)21-24/h5-13,17-19,24,26,38H,14-16,20-22H2,1-4H3,(H,37,42)

InChI Key

WMPHFRADKARUOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

688.8

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

2.324

Water Solubility, LogSw

-4.26

Polar Surface Area

113.731

Acid Dissociation Constant (pKa)

5.81

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

K784-8501 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-8501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8501?
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What is the minimum amount of K784-8501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8501
  • 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 K784-8501 available by request