C304-1411 Screening compound: [3-methyl-4-(3-methylphenyl)piperazino](2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone

C304-1411 Screening compound: [3-methyl-4-(3-methylphenyl)piperazino](2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
C304-1411 Screening compound: [3-methyl-4-(3-methylphenyl)piperazino](2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-1411
[3-methyl-4-(3-methylphenyl)piperazino](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

C304-1411

Molecular Formula

C30H33N3OS (C30 H33 N3 OS)

Compound Name

[3-methyl-4-(3-methylphenyl)piperazino](2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone

IUPAC name

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

SMILES

CCCC1=Nc(cc(cc2)C(N(CC3)CC(C)N3c3cc(C)ccc3)=O)c2Sc2c1cc(C)cc2

InChI

InChI=1S/C30H33N3OS/c1-5-7-26-25-17-21(3)10-12-28(25)35-29-13-11-23(18-27(29)31-26)30(34)32-14-15-33(22(4)19-32)24-9-6-8-20(2)16-24/h6,8-13,16-18,22H,5,7,14-15,19H2,1-4H3/t22-/m0/s1

InChI Key

MALGVJWCBOKQTC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD26964555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.972

Distribution Coefficient, logD

6.971

Water Solubility, LogSw

-5.53

Polar Surface Area

27.358

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C304-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-1411?
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What is the minimum amount of C304-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-1411
  • 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 C304-1411 available by request