K788-1605 Screening compound: N~8~-cyclopentyl-10-(2-fluorobenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

Chemical Structure Depiction of ChemDiv screening compound K788-1605
N~8~-cyclopentyl-10-(2-fluorobenzyl)-11-oxo-10,11-dihydrodibenzo[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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K788-1605

Molecular Formula

C₂₆H₂₃FN₂O₂S (C26 H23 FN2 O2 S)

Compound Name

N~8~-cyclopentyl-10-(2-fluorobenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-cyclopentyl-9-[(2-fluorophenyl)methyl]-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

O=C(c(cc1)cc(N2Cc(cccc3)c3F)c1Sc(cccc1)c1C2=O)NC1CCCC1

InChI

InChI=1S/C26H23FN2O2S/c27-21-11-5-1-7-18(21)16-29-22-15-17(25(30)28-19-8-2-3-9-19)13-14-24(22)32-23-12-6-4-10-20(23)26(29)31/h1,4-7,10-15,19H,2-3,8-9,16H2,(H,28,30)

InChI Key

FMCZXZBEFPHNTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.862

Distribution Coefficient, logD

5.862

Water Solubility, LogSw

-5.94

Polar Surface Area

39.905

Acid Dissociation Constant (pK_a)

15.62

Base Dissociation Constant (pK_b)

-1.59

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

23.10

K788-1605 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:

3D
3D
Mimetics

Mechanism of action:

PPI modulators
PPI modulators

Therapeutical areas:

Infections
Immune system
animal

References: we are preparing a list of scientific research reports with K788-1605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1605?
Check Price and Availability of K788-1605, 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 K788-1605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K788-1605
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K788-1605

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 K788-1605 available by request