C304-1419 Screening compound: (4-benzylpiperidino)(2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone

C304-1419 Screening compound: (4-benzylpiperidino)(2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
C304-1419 Screening compound: (4-benzylpiperidino)(2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-1419
(4-benzylpiperidino)(2-methyl-11-propyldibenzo[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

C304-1419

Molecular Formula

C30H32N2OS (C30 H32 N2 OS)

Compound Name

(4-benzylpiperidino)(2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone

IUPAC name

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

SMILES

CCCC1=Nc(cc(cc2)C(N3CCC(Cc4ccccc4)CC3)=O)c2Sc2c1cc(C)cc2

InChI

InChI=1S/C30H32N2OS/c1-3-7-26-25-18-21(2)10-12-28(25)34-29-13-11-24(20-27(29)31-26)30(33)32-16-14-23(15-17-32)19-22-8-5-4-6-9-22/h4-6,8-13,18,20,23H,3,7,14-17,19H2,1-2H3

InChI Key

YPKVDPSSOAOQKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.427

Distribution Coefficient, logD

7.426

Water Solubility, LogSw

-5.69

Polar Surface Area

24.607

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C304-1419 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C304-1419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-1419?
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What is the minimum amount of C304-1419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-1419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-1419
  • 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 C304-1419 available by request