G946-0633 Screening compound: N~1~-{[3-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2-phenylacetamide

Chemical Structure Depiction of ChemDiv screening compound G946-0633
N~1~-{[3-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2-phenylacetamide

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

G946-0633

Molecular Formula

C₂₉H₂₆N₄O₃S (C29 H26 N4 O3 S)

Compound Name

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

IUPAC name

N-[(3-{9-cyclopentyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-124-oxadiazol-5-yl)methyl]-2-phenylacetamide

SMILES

O=C(Cc1ccccc1)NCc1nc(-c(cc2)cc(Sc3c4cccc3)c2N(C2CCCC2)C4=O)no1

InChI

InChI=1S/C29H26N4O3S/c34-26(16-19-8-2-1-3-9-19)30-18-27-31-28(32-36-27)20-14-15-23-25(17-20)37-24-13-7-6-12-22(24)29(35)33(23)21-10-4-5-11-21/h1-3,6-9,12-15,17,21H,4-5,10-11,16,18H2,(H,30,34)

InChI Key

WCOAVYPJERYZEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.768

Distribution Coefficient, logD

5.768

Water Solubility, LogSw

-5.92

Polar Surface Area

70.531

Acid Dissociation Constant (pK_a)

12.67

Base Dissociation Constant (pK_b)

-4.38

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

24.10

G946-0633 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

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

Mechanism of action:

PPI modulators
Epigenetic
PPI modulators
PPI modulators
PPI modulators

Structure:

Mimetics
Mimetics
Mimetics

Targets:

Others

References: we are preparing a list of scientific research reports with G946-0633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0633?
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What is the minimum amount of G946-0633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for G946-0633
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for G946-0633

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 G946-0633 available by request