K784-7937 Screening compound: N~1~-cyclooctyl-3-{[(3-methoxyanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

Chemical Structure Depiction of ChemDiv screening compound K784-7937
N~1~-cyclooctyl-3-{[(3-methoxyanilino)carbonyl]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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K784-7937

Molecular Formula

C₃₄H₄₁N₅O₄ (C34 H41 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(Nc(cc(cc2)C(NC3CCCCCCC3)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)c1

InChI

InChI=1S/C34H41N5O4/c1-43-28-12-7-11-27(19-28)36-34(42)37-29-18-24(33(41)35-26-9-5-3-2-4-6-10-26)15-16-31(29)38-20-23-17-25(22-38)30-13-8-14-32(40)39(30)21-23/h7-8,11-16,18-19,23,25-26H,2-6,9-10,17,20-22H2,1H3,(H,35,41)(H2,36,37,42)

InChI Key

AIERHSUFNQENPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

6.753

Distribution Coefficient, logD

6.752

Water Solubility, LogSw

-5.53

Polar Surface Area

82.707

Acid Dissociation Constant (pK_a)

10.44

Base Dissociation Constant (pK_b)

6.78

Number of Chiral Centers

2.00

Percent sp³ carbon bonding

44.10

K784-7937 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Cardiovascular
Metabolic
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds

Targets:

GPCR

Mechanism of action:

Receptor's ligands
PPI modulators
PPI modulators

Structure:

Cyclic compounds
Cyclic compounds

References: we are preparing a list of scientific research reports with K784-7937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7937?
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What is the minimum amount of K784-7937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K784-7937
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K784-7937

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 K784-7937 available by request