G943-0555 Screening compound: N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-(1H-indol-3-yl)propanamide

Chemical Structure Depiction of ChemDiv screening compound G943-0555
N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-(1H-indol-3-yl)propanamide

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

G943-0555

Molecular Formula

C₂₇H₂₃N₃O₂S (C27 H23 N3 O2 S)

Compound Name

N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-(1H-indol-3-yl)propanamide

IUPAC name

N-{9-cyclopropyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-3-(1H-indol-3-yl)propanamide

SMILES

O=C(CCc1c[nH]c2c1cccc2)Nc(cc1)cc(Sc2c3cccc2)c1N(C1CC1)C3=O

InChI

InChI=1S/C27H23N3O2S/c31-26(14-9-17-16-28-22-7-3-1-5-20(17)22)29-18-10-13-23-25(15-18)33-24-8-4-2-6-21(24)27(32)30(23)19-11-12-19/h1-8,10,13,15-16,19,28H,9,11-12,14H2,(H,29,31)

InChI Key

OEUTXLYKRZDYQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.422

Distribution Coefficient, logD

5.422

Water Solubility, LogSw

-6.03

Polar Surface Area

47.702

Acid Dissociation Constant (pK_a)

12.75

Base Dissociation Constant (pK_b)

-1.77

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

18.50

G943-0555 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 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
Otorhinolaryngologic
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Metabolic

Targets:

Kinases
GPCR
Kinases
Others

Mechanism of action:

Receptor's ligands
Epigenetic
PPI modulators
PPI modulators

Structure:

Mimetics

References: we are preparing a list of scientific research reports with G943-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0555?
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What is the minimum amount of G943-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for G943-0555
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for G943-0555

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 G943-0555 available by request