C304-1310 Screening compound: ethyl 4-{[(2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

C304-1310 Screening compound: ethyl 4-{[(2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
C304-1310 Screening compound: ethyl 4-{[(2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-1310
ethyl 4-{[(2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

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

C304-1310

Molecular Formula

C26H31N3O3S (C26 H31 N3 O3 S)

Compound Name

ethyl 4-{[(2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

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

SMILES

CCCC1=Nc(cc(cc2)C(NC(CC3)CCN3C(OCC)=O)=O)c2Sc2c1cc(C)cc2

InChI

InChI=1S/C26H31N3O3S/c1-4-6-21-20-15-17(3)7-9-23(20)33-24-10-8-18(16-22(24)28-21)25(30)27-19-11-13-29(14-12-19)26(31)32-5-2/h7-10,15-16,19H,4-6,11-14H2,1-3H3,(H,27,30)

InChI Key

KWOQBRJXLMITFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.511

Distribution Coefficient, logD

5.511

Water Solubility, LogSw

-5.31

Polar Surface Area

55.149

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C304-1310 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C304-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-1310?
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What is the minimum amount of C304-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-1310
  • 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 C304-1310 available by request