K788-6623 Screening compound: N~1~-(3-fluoro-4-methylphenyl)-2-[8-(morpholinocarbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide

Chemical Structure Depiction of ChemDiv screening compound K788-6623
N~1~-(3-fluoro-4-methylphenyl)-2-[8-(morpholinocarbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide

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

K788-6623

Molecular Formula

C₂₇H₂₄FN₃O₄S (C27 H24 FN3 O4 S)

Compound Name

N~1~-(3-fluoro-4-methylphenyl)-2-[8-(morpholinocarbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide

IUPAC name

N-(3-fluoro-4-methylphenyl)-2-[6-(morpholine-4-carbonyl)-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-9-yl]acetamide

SMILES

Cc(ccc(NC(CN(c(cc(cc1)C(N2CCOCC2)=O)c1Sc1c2cccc1)C2=O)=O)c1)c1F

InChI

InChI=1S/C27H24FN3O4S/c1-17-6-8-19(15-21(17)28)29-25(32)16-31-22-14-18(26(33)30-10-12-35-13-11-30)7-9-24(22)36-23-5-3-2-4-20(23)27(31)34/h2-9,14-15H,10-13,16H2,1H3,(H,29,32)

InChI Key

YQDRALKRHACMTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.072

Distribution Coefficient, logD

4.072

Water Solubility, LogSw

-4.16

Polar Surface Area

63.107

Acid Dissociation Constant (pK_a)

10.74

Base Dissociation Constant (pK_b)

0.20

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

22.20

K788-6623 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Male
Female
Hemic and lymphatic
Skin
Cancer
Digestive system
Respiratory tract
Nervous system
Eye
Cardiovascular

Targets:

Kinases
GPCR

Mechanism of action:

PPI modulators
Receptor's ligands
PPI modulators

Structure:

Mimetics

References: we are preparing a list of scientific research reports with K788-6623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6623?
Check Price and Availability of K788-6623, 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 K788-6623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K788-6623
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K788-6623

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 K788-6623 available by request