C304-0725 Screening compound: 13-chloro-N-cyclopentyl-10-ethyl-2-thia-9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaene-6-carboxamide

Chemical Structure Depiction of ChemDiv screening compound C304-0725
13-chloro-N-cyclopentyl-10-ethyl-2-thia-9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaene-6-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

C304-0725

Molecular Formula

C₂₁H₂₁ClN₂OS (C21 H21 ClN2 OS)

Compound Name

13-chloro-N-cyclopentyl-10-ethyl-2-thia-9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaene-6-carboxamide

IUPAC name

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

SMILES

CCC1=Nc(cc(cc2)C(NC3CCCC3)=O)c2Sc(cc2)c1cc2Cl

InChI

InChI=1S/C21H21ClN2OS/c1-2-17-16-12-14(22)8-10-19(16)26-20-9-7-13(11-18(20)24-17)21(25)23-15-5-3-4-6-15/h7-12,15H,2-6H2,1H3,(H,23,25)

InChI Key

OWEBNGHFLBMLRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.723

Distribution Coefficient, logD

5.723

Water Solubility, LogSw

-5.83

Polar Surface Area

32.735

Acid Dissociation Constant (pK_a)

14.82

Base Dissociation Constant (pK_b)

3.99

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

33.33

C304-0725 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:

References: we are preparing a list of scientific research reports with C304-0725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0725?
Check Price and Availability of C304-0725, 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 C304-0725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for C304-0725
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for C304-0725

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 C304-0725 available by request