1927-7815 Screening compound: N-{4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl}-N,N-dipropylamine

1927-7815 Screening compound: N-{4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl}-N,N-dipropylamine
1927-7815 Screening compound: N-{4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl}-N,N-dipropylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1927-7815
N-{4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl}-N,N-dipropylamine

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

1927-7815

Molecular Formula

C24H29N5OS (C24 H29 N5 OS)

Compound Name

N-{4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl}-N,N-dipropylamine

IUPAC name

4-[5-(ethylsulfanyl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(11)2(7)351214-hexaen-9-yl]-NN-dipropylaniline

SMILES

CCCN(CCC)c1ccc(C2Oc3nc(SCC)nnc3-c(cccc3)c3N2)cc1

InChI

InChI=1S/C24H29N5OS/c1-4-15-29(16-5-2)18-13-11-17(12-14-18)22-25-20-10-8-7-9-19(20)21-23(30-22)26-24(28-27-21)31-6-3/h7-14,22,25H,4-6,15-16H2,1-3H3/t22-/m0/s1

InChI Key

QICHVLKERHTPLD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00845137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.686

Distribution Coefficient, logD

5.473

Water Solubility, LogSw

-5.65

Polar Surface Area

55.541

Acid Dissociation Constant (pKa)

18.19

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

1927-7815 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1927-7815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1927-7815?
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What is the minimum amount of 1927-7815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1927-7815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1927-7815
  • 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 1927-7815 available by request