C304-4777 Screening compound: N~8~-{2-[4-(5-chloro-2-methylphenyl)piperazino]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-4777 Screening compound: N~8~-{2-[4-(5-chloro-2-methylphenyl)piperazino]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-4777 Screening compound: N~8~-{2-[4-(5-chloro-2-methylphenyl)piperazino]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-4777
N~8~-{2-[4-(5-chloro-2-methylphenyl)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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C304-4777

Molecular Formula

C30H33ClN4OS (C30 H33 ClN4 OS)

Compound Name

N~8~-{2-[4-(5-chloro-2-methylphenyl)piperazino]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-{2-[4-(5-chloro-2-methylphenyl)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)CCN3c3c(C)ccc(Cl)c3)=O)c2Sc2c1cccc2

InChI

InChI=1S/C30H33ClN4OS/c1-3-6-25-24-7-4-5-8-28(24)37-29-12-10-22(19-26(29)33-25)30(36)32-13-14-34-15-17-35(18-16-34)27-20-23(31)11-9-21(27)2/h4-5,7-12,19-20H,3,6,13-18H2,1-2H3,(H,32,36)

InChI Key

IKXPVIXGMYNXQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.14

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.626

Distribution Coefficient, logD

6.513

Water Solubility, LogSw

-6.05

Polar Surface Area

39.427

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C304-4777 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C304-4777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-4777?
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What is the minimum amount of C304-4777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-4777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-4777
  • 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 C304-4777 available by request