C304-0686 Screening compound: (2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)(2,3-dihydro-1H-indol-1-yl)methanone

C304-0686 Screening compound: (2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)(2,3-dihydro-1H-indol-1-yl)methanone
C304-0686 Screening compound: (2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)(2,3-dihydro-1H-indol-1-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0686
(2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)(2,3-dihydro-1H-indol-1-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

C304-0686

Molecular Formula

C23H17ClN2OS (C23 H17 ClN2 OS)

Compound Name

(2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)(2,3-dihydro-1H-indol-1-yl)methanone

IUPAC name

13-chloro-6-(23-dihydro-1H-indole-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)c4c3cccc4)=O)c2Sc(cc2)c1cc2Cl

InChI

InChI=1S/C23H17ClN2OS/c1-14-18-13-17(24)7-9-21(18)28-22-8-6-16(12-19(22)25-14)23(27)26-11-10-15-4-2-3-5-20(15)26/h2-9,12-13H,10-11H2,1H3

InChI Key

SFIVRSFNGJKUBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.771

Distribution Coefficient, logD

5.771

Water Solubility, LogSw

-5.71

Polar Surface Area

23.179

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C304-0686 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C304-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0686?
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What is the minimum amount of C304-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0686
  • 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 C304-0686 available by request