K788-0517 Screening compound: 11-ethyl-N-(3-isopropoxypropyl)-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

Chemical Structure Depiction of ChemDiv screening compound K788-0517
11-ethyl-N-(3-isopropoxypropyl)-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

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

K788-0517

Molecular Formula

C₂₃H₂₈N₂O₂S (C23 H28 N2 O2 S)

Compound Name

11-ethyl-N-(3-isopropoxypropyl)-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

10-ethyl-13-methyl-N-[3-(propan-2-yloxy)propyl]-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carboxamide

SMILES

CCC1=Nc(cc(cc2)C(NCCCOC(C)C)=O)c2Sc2c1cc(C)cc2

InChI

InChI=1S/C23H28N2O2S/c1-5-19-18-13-16(4)7-9-21(18)28-22-10-8-17(14-20(22)25-19)23(26)24-11-6-12-27-15(2)3/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,24,26)

InChI Key

QWKYGHLJVVYQQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03834189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.738

Distribution Coefficient, logD

4.738

Water Solubility, LogSw

-4.39

Polar Surface Area

39.958

Acid Dissociation Constant (pK_a)

14.19

Base Dissociation Constant (pK_b)

4.34

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

39.13

K788-0517 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0517?
Check Price and Availability of K788-0517, 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 K788-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K788-0517
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K788-0517

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 K788-0517 available by request