1348-1555 Screening compound: 6-[5-(4-chlorophenyl)-2-furyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

1348-1555 Screening compound: 6-[5-(4-chlorophenyl)-2-furyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
1348-1555 Screening compound: 6-[5-(4-chlorophenyl)-2-furyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1348-1555
6-[5-(4-chlorophenyl)-2-furyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

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

1348-1555

Molecular Formula

C21H15ClN4O2S (C21 H15 ClN4 O2 S)

Compound Name

6-[5-(4-chlorophenyl)-2-furyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

IUPAC name

9-[5-(4-chlorophenyl)furan-2-yl]-5-(methylsulfanyl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(15)2(7)351113-hexaene

SMILES

CSc1nnc(-c(cccc2)c2NC(c2ccc(-c(cc3)ccc3Cl)o2)O2)c2n1

InChI

InChI=1S/C21H15ClN4O2S/c1-29-21-24-20-18(25-26-21)14-4-2-3-5-15(14)23-19(28-20)17-11-10-16(27-17)12-6-8-13(22)9-7-12/h2-11,19,23H,1H3/t19-/m0/s1

InChI Key

POQDMILISXOHOB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00683733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.393

Distribution Coefficient, logD

5.393

Water Solubility, LogSw

-6.11

Polar Surface Area

60.697

Acid Dissociation Constant (pKa)

18.32

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.52

1348-1555 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1348-1555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1348-1555?
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What is the minimum amount of 1348-1555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1348-1555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1348-1555
  • 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 1348-1555 available by request