K781-1738 Screening compound: N~3~-[5-[(3-acetylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide

Chemical Structure Depiction of ChemDiv screening compound K781-1738
N~3~-[5-[(3-acetylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide

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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K781-1738

Molecular Formula

C₃₆H₃₀N₄O₆ (C36 H30 N4 O6)

Compound Name

N~3~-[5-[(3-acetylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-{5-[(3-acetylphenyl)carbamoyl]-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl}-2-oxo-2H-chromene-3-carboxamide

SMILES

CC(c1cccc(NC(c(cc2)cc(NC(C3=Cc(cccc4)c4OC3=O)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)c1)=O

InChI

InChI=1S/C36H30N4O6/c1-21(41)23-7-4-8-27(15-23)37-34(43)25-12-13-31(39-18-22-14-26(20-39)30-9-5-11-33(42)40(30)19-22)29(17-25)38-35(44)28-16-24-6-2-3-10-32(24)46-36(28)45/h2-13,15-17,22,26H,14,18-20H2,1H3,(H,37,43)(H,38,44)

InChI Key

YNCMIRJOJRXBQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

614.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.840

Distribution Coefficient, logD

3.196

Water Solubility, LogSw

-4.64

Polar Surface Area

99.322

Acid Dissociation Constant (pK_a)

5.77

Base Dissociation Constant (pK_b)

0.56

Number of Chiral Centers

2.00

Percent sp³ carbon bonding

19.40

K781-1738 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Spiro Library (21655 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cardiovascular
Metabolic
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds
Cancer
Digestive system
Male
Female
Hemic and lymphatic

Mechanism of action:

PPI modulators
PPI modulators

Structure:

Cyclic compounds
Cyclic compounds

Targets:

Kinases

References: we are preparing a list of scientific research reports with K781-1738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1738?
Check Price and Availability of K781-1738, 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 K781-1738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K781-1738
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for K781-1738

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 K781-1738 available by request