K784-7954 Screening compound: 3-{[(3-methoxyanilino)carbonyl]amino}-N~1~-(2-methoxybenzyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K784-7954 Screening compound: 3-{[(3-methoxyanilino)carbonyl]amino}-N~1~-(2-methoxybenzyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K784-7954 Screening compound: 3-{[(3-methoxyanilino)carbonyl]amino}-N~1~-(2-methoxybenzyl)-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 K784-7954
3-{[(3-methoxyanilino)carbonyl]amino}-N~1~-(2-methoxybenzyl)-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

K784-7954

Molecular Formula

C34H35N5O5 (C34 H35 N5 O5)

Compound Name

3-{[(3-methoxyanilino)carbonyl]amino}-N~1~-(2-methoxybenzyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

3-{[(3-methoxyphenyl)carbamoyl]amino}-N-[(2-methoxyphenyl)methyl]-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

COc1cccc(NC(Nc(cc(cc2)C(NCc(cccc3)c3OC)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)c1

InChI

InChI=1S/C34H35N5O5/c1-43-27-9-5-8-26(17-27)36-34(42)37-28-16-23(33(41)35-18-24-7-3-4-11-31(24)44-2)13-14-30(28)38-19-22-15-25(21-38)29-10-6-12-32(40)39(29)20-22/h3-14,16-17,22,25H,15,18-21H2,1-2H3,(H,35,41)(H2,36,37,42)

InChI Key

MLPONSWZBVWRBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.649

Distribution Coefficient, logD

5.649

Water Solubility, LogSw

-5.47

Polar Surface Area

90.282

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.50

K784-7954 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Lipid Metabolism Library (9174 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

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-7954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7954?
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What is the minimum amount of K784-7954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7954
  • 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 K784-7954 available by request