C304-0823 Screening compound: (4-benzylpiperazino)(2-chloro-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone

C304-0823 Screening compound: (4-benzylpiperazino)(2-chloro-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
C304-0823 Screening compound: (4-benzylpiperazino)(2-chloro-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0823
(4-benzylpiperazino)(2-chloro-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone

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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C304-0823

Molecular Formula

C27H26ClN3OS (C27 H26 ClN3 OS)

Compound Name

(4-benzylpiperazino)(2-chloro-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone

IUPAC name

6-(4-benzylpiperazine-1-carbonyl)-13-chloro-10-ethyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene

SMILES

CCC1=Nc(cc(cc2)C(N3CCN(Cc4ccccc4)CC3)=O)c2Sc(cc2)c1cc2Cl

InChI

InChI=1S/C27H26ClN3OS/c1-2-23-22-17-21(28)9-11-25(22)33-26-10-8-20(16-24(26)29-23)27(32)31-14-12-30(13-15-31)18-19-6-4-3-5-7-19/h3-11,16-17H,2,12-15,18H2,1H3

InChI Key

AQRQZDPZURLAHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.493

Distribution Coefficient, logD

5.478

Water Solubility, LogSw

-5.79

Polar Surface Area

28.419

Acid Dissociation Constant (pKa)

23.04

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with C304-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0823?
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What is the minimum amount of C304-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0823
  • 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 C304-0823 available by request