C304-1288 Screening compound: [4-(2,3-dimethylphenyl)piperazino](11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)methanone

C304-1288 Screening compound: [4-(2,3-dimethylphenyl)piperazino](11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
C304-1288 Screening compound: [4-(2,3-dimethylphenyl)piperazino](11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-1288
[4-(2,3-dimethylphenyl)piperazino](11-ethyl-2-methyldibenzo[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

C304-1288

Molecular Formula

C29H31N3OS (C29 H31 N3 OS)

Compound Name

[4-(2,3-dimethylphenyl)piperazino](11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)methanone

IUPAC name

6-[4-(23-dimethylphenyl)piperazine-1-carbonyl]-10-ethyl-13-methyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene

SMILES

CCC1=Nc(cc(cc2)C(N(CC3)CCN3c3c(C)c(C)ccc3)=O)c2Sc2c1cc(C)cc2

InChI

InChI=1S/C29H31N3OS/c1-5-24-23-17-19(2)9-11-27(23)34-28-12-10-22(18-25(28)30-24)29(33)32-15-13-31(14-16-32)26-8-6-7-20(3)21(26)4/h6-12,17-18H,5,13-16H2,1-4H3

InChI Key

SSHQPUKXUUNPPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.662

Distribution Coefficient, logD

6.660

Water Solubility, LogSw

-5.50

Polar Surface Area

27.838

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with C304-1288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-1288?
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What is the minimum amount of C304-1288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-1288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-1288
  • 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 C304-1288 available by request