C304-0434 Screening compound: N~8~-{2-[4-(3-chlorophenyl)piperazino]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

Chemical Structure Depiction of ChemDiv screening compound C304-0434
N~8~-{2-[4-(3-chlorophenyl)piperazino]ethyl}-11-propyldibenzo[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

C304-0434

Molecular Formula

C₂₉H₃₁ClN₄OS (C29 H31 ClN4 OS)

Compound Name

N~8~-{2-[4-(3-chlorophenyl)piperazino]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-10-propyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carboxamide

SMILES

CCCC1=Nc(cc(cc2)C(NCCN(CC3)CCN3c3cccc(Cl)c3)=O)c2Sc2c1cccc2

InChI

InChI=1S/C29H31ClN4OS/c1-2-6-25-24-9-3-4-10-27(24)36-28-12-11-21(19-26(28)32-25)29(35)31-13-14-33-15-17-34(18-16-33)23-8-5-7-22(30)20-23/h3-5,7-12,19-20H,2,6,13-18H2,1H3,(H,31,35)

InChI Key

YKBFJKPINWYLFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.11

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

5.927

Distribution Coefficient, logD

5.903

Water Solubility, LogSw

-5.87

Polar Surface Area

39.728

Acid Dissociation Constant (pK_a)

12.47

Base Dissociation Constant (pK_b)

6.16

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

31.00

C304-0434 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:

References: we are preparing a list of scientific research reports with C304-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0434?
Check Price and Availability of C304-0434, 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 C304-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for C304-0434
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for C304-0434

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 C304-0434 available by request