C301-6218 Screening compound: N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

Chemical Structure Depiction of ChemDiv screening compound C301-6218
N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C301-6218

Molecular Formula

C₂₃H₂₈N₄O₄S (C23 H28 N4 O4 S)

Compound Name

N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

IUPAC name

N-[13-dimethyl-6-(morpholin-4-yl)-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]-5678-tetrahydronaphthalene-2-sulfonamide

SMILES

CN(c(c(N1C)c2)cc(NS(c3cc(CCCC4)c4cc3)(=O)=O)c2N2CCOCC2)C1=O

InChI

InChI=1S/C23H28N4O4S/c1-25-21-14-19(20(27-9-11-31-12-10-27)15-22(21)26(2)23(25)28)24-32(29,30)18-8-7-16-5-3-4-6-17(16)13-18/h7-8,13-15,24H,3-6,9-12H2,1-2H3

InChI Key

KFTKFXGCCHDYMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

1.173

Water Solubility, LogSw

-3.92

Polar Surface Area

68.856

Acid Dissociation Constant (pK_a)

4.87

Base Dissociation Constant (pK_b)

7.22

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

43.50

C301-6218 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Female
Congenital
Skin
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Male
Female
Hemic and lymphatic
Skin
Antiviral
Infections
Immune system
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Metabolic
Cancer
Digestive system
Male
Female
Hemic and lymphatic

Targets:

Kinases
Others
Kinases

Mechanism of action:

Epigenetic

References: we are preparing a list of scientific research reports with C301-6218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6218?
Check Price and Availability of C301-6218, 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 C301-6218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for C301-6218
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for C301-6218

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 C301-6218 available by request