K623-0091 Screening compound: 3,4,5-trimethoxy-N~1~-(2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-{[3-(trifluoromethyl)anilino]carbonyl}phenyl)benzamide

K623-0091 Screening compound: 3,4,5-trimethoxy-N~1~-(2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-{[3-(trifluoromethyl)anilino]carbonyl}phenyl)benzamide
K623-0091 Screening compound: 3,4,5-trimethoxy-N~1~-(2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-{[3-(trifluoromethyl)anilino]carbonyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0091
3,4,5-trimethoxy-N~1~-(2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-{[3-(trifluoromethyl)anilino]carbonyl}phenyl)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

K623-0091

Molecular Formula

C35H33F3N4O6 (C35 H33 F3 N4 O6)

Compound Name

3,4,5-trimethoxy-N~1~-(2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-{[3-(trifluoromethyl)anilino]carbonyl}phenyl)benzamide

IUPAC name

4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-N-[3-(trifluoromethyl)phenyl]-3-(345-trimethoxybenzamido)benzamide

SMILES

COc1cc(C(Nc(cc(cc2)C(Nc3cccc(C(F)(F)F)c3)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cc(OC)c1OC

InChI

InChI=1S/C35H33F3N4O6/c1-46-29-14-22(15-30(47-2)32(29)48-3)34(45)40-26-13-21(33(44)39-25-7-4-6-24(16-25)35(36,37)38)10-11-28(26)41-17-20-12-23(19-41)27-8-5-9-31(43)42(27)18-20/h4-11,13-16,20,23H,12,17-19H2,1-3H3,(H,39,44)(H,40,45)

InChI Key

TZQIIPPTXAAFJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

662.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.067

Distribution Coefficient, logD

6.037

Water Solubility, LogSw

-5.66

Polar Surface Area

87.551

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

K623-0091 in Drug Discovery

Included in Screening Libraries

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
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0091?
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What is the minimum amount of K623-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0091
  • 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 K623-0091 available by request