C304-0679 Screening compound: (2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(4-chlorophenyl)piperazino]methanone

C304-0679 Screening compound: (2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(4-chlorophenyl)piperazino]methanone
C304-0679 Screening compound: (2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(4-chlorophenyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0679
(2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(4-chlorophenyl)piperazino]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

C304-0679

Molecular Formula

C25H21Cl2N3OS (C25 H21 Cl2 N3 OS)

Compound Name

(2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(4-chlorophenyl)piperazino]methanone

IUPAC name

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

SMILES

CC1=Nc(cc(cc2)C(N(CC3)CCN3c(cc3)ccc3Cl)=O)c2Sc(cc2)c1cc2Cl

InChI

InChI=1S/C25H21Cl2N3OS/c1-16-21-15-19(27)5-9-23(21)32-24-8-2-17(14-22(24)28-16)25(31)30-12-10-29(11-13-30)20-6-3-18(26)4-7-20/h2-9,14-15H,10-13H2,1H3

InChI Key

YJHVLASSXBMLNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.178

Distribution Coefficient, logD

6.177

Water Solubility, LogSw

-6.07

Polar Surface Area

27.409

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C304-0679 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C304-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0679?
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What is the minimum amount of C304-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0679
  • 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 C304-0679 available by request