K781-1270 Screening compound: N~1~-(2-methoxyethyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[3-(trifluoromethyl)benzoyl]amino}benzamide

K781-1270 Screening compound: N~1~-(2-methoxyethyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[3-(trifluoromethyl)benzoyl]amino}benzamide
K781-1270 Screening compound: N~1~-(2-methoxyethyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[3-(trifluoromethyl)benzoyl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1270
N~1~-(2-methoxyethyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[3-(trifluoromethyl)benzoyl]amino}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

K781-1270

Molecular Formula

C29H29F3N4O4 (C29 H29 F3 N4 O4)

Compound Name

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

IUPAC name

N-(2-methoxyethyl)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-3-[3-(trifluoromethyl)benzamido]benzamide

SMILES

COCCNC(c(cc1)cc(NC(c2cccc(C(F)(F)F)c2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C29H29F3N4O4/c1-40-11-10-33-27(38)20-8-9-25(23(14-20)34-28(39)19-4-2-5-22(13-19)29(30,31)32)35-15-18-12-21(17-35)24-6-3-7-26(37)36(24)16-18/h2-9,13-14,18,21H,10-12,15-17H2,1H3,(H,33,38)(H,34,39)

InChI Key

AKWNQLJXUNBRAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.205

Distribution Coefficient, logD

3.776

Water Solubility, LogSw

-4.44

Polar Surface Area

74.351

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

K781-1270 in Drug Discovery

Included in Screening Libraries

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:
  • 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 K781-1270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1270?
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What is the minimum amount of K781-1270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1270
  • 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 K781-1270 available by request