K784-3228 Screening compound: (1S,2R,5S,7R)-3-(2-chlorobenzyl)-N~2~-cyclohexyl-N~6~-(3,4-dichlorophenyl)-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

Chemical Structure Depiction of ChemDiv screening compound K784-3228
(1S,2R,5S,7R)-3-(2-chlorobenzyl)-N~2~-cyclohexyl-N~6~-(3,4-dichlorophenyl)-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

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

K784-3228

Molecular Formula

C₃₀H₃₀Cl₃N₃O₄ (C30 H30 Cl3 N3 O4)

Compound Name

(1S,2R,5S,7R)-3-(2-chlorobenzyl)-N~2~-cyclohexyl-N~6~-(3,4-dichlorophenyl)-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

IUPAC name

(5S7R)-3-[(2-chlorophenyl)methyl]-N2-cyclohexyl-N6-(34-dichlorophenyl)-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

C[C@]1(C([C@H]2C(N(Cc(cccc3)c3Cl)C3C(NC4CCCCC4)=O)=O)C(Nc(cc4)cc(Cl)c4Cl)=O)O[C@@]23C=C1

InChI

InChI=1S/C30H30Cl3N3O4/c1-29-13-14-30(40-29)24(23(29)26(37)35-19-11-12-21(32)22(33)15-19)28(39)36(16-17-7-5-6-10-20(17)31)25(30)27(38)34-18-8-3-2-4-9-18/h5-7,10-15,18,23-25H,2-4,8-9,16H2,1H3,(H,34,38)(H,35,37)/t23?,24-,25?,29-,30-/m0/s1

InChI Key

VGVDMAAIACXHNR-RQGCUHDISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

6.436

Distribution Coefficient, logD

4.982

Water Solubility, LogSw

-6.10

Polar Surface Area

71.094

Acid Dissociation Constant (pK_a)

5.96

Base Dissociation Constant (pK_b)

-0.35

Number of Chiral Centers

5.00

Percent sp³ carbon bonding

43.30

K784-3228 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:

PPI modulators
PPI modulators
PPI modulators
PPI modulators
PPI modulators

Structure:

Cyclic compounds
Mimetics
Cyclic compounds
Cyclic compounds
Mimetics

Therapeutical areas:

Infections
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Cardiovascular
Skin
Metabolic
Immune system

Targets:

Proteases

References: we are preparing a list of scientific research reports with K784-3228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-3228?
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What is the minimum amount of K784-3228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K784-3228
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K784-3228

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 K784-3228 available by request