G946-0473 Screening compound: N~1~-{1-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methyl-1-benzenesulfonamide

Chemical Structure Depiction of ChemDiv screening compound G946-0473
N~1~-{1-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methyl-1-benzenesulfonamide

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

G946-0473

Molecular Formula

C₂₇H₂₄N₄O₄S₂ (C27 H24 N4 O4 S2)

Compound Name

N~1~-{1-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methyl-1-benzenesulfonamide

IUPAC name

N-[1-(3-{9-cyclopropyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-124-oxadiazol-5-yl)ethyl]-4-methylbenzene-1-sulfonamide

SMILES

CC(c1nc(-c(cc2)cc(Sc3c4cccc3)c2N(C2CC2)C4=O)no1)NS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C27H24N4O4S2/c1-16-7-12-20(13-8-16)37(33,34)30-17(2)26-28-25(29-35-26)18-9-14-22-24(15-18)36-23-6-4-3-5-21(23)27(32)31(22)19-10-11-19/h3-9,12-15,17,19,30H,10-11H2,1-2H3/t17-/m0/s1

InChI Key

AQXNGOSCBVRLTH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27169785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

6.329

Distribution Coefficient, logD

6.243

Water Solubility, LogSw

-5.49

Polar Surface Area

87.765

Acid Dissociation Constant (pK_a)

8.06

Base Dissociation Constant (pK_b)

-4.65

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

22.20

G946-0473 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Female
Congenital
Skin
Antiviral
Infections
Immune system
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Cancer
Digestive system
Respiratory tract
Nervous system
Eye
Cardiovascular

Targets:

Kinases
GPCR
GPCR

Mechanism of action:

Receptor's ligands
PPI modulators
Receptor's ligands
PPI modulators

Structure:

Mimetics

References: we are preparing a list of scientific research reports with G946-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0473?
Check Price and Availability of G946-0473, 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 G946-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for G946-0473
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for G946-0473

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 G946-0473 available by request