1927-8331 Screening compound: 3-(ETHYLSULFANYL)-6,6-DIMETHYL-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE

1927-8331 Screening compound: 3-(ETHYLSULFANYL)-6,6-DIMETHYL-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE
1927-8331 Screening compound: 3-(ETHYLSULFANYL)-6,6-DIMETHYL-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1927-8331
3-(ETHYLSULFANYL)-6,6-DIMETHYL-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

1927-8331

Molecular Formula

C14H16N4OS (C14 H16 N4 OS)

Compound Name

3-(ETHYLSULFANYL)-6,6-DIMETHYL-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE

IUPAC name

n/a

SMILES

CCSc1nnc(-c(cccc2)c2NC(C)(C)O2)c2n1

InChI

InChI=1S/C14H16N4OS/c1-4-20-13-15-12-11(17-18-13)9-7-5-6-8-10(9)16-14(2,3)19-12/h5-8,16H,4H2,1-3H3

InChI Key

YFASFXFRZPGABL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01018719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.261

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-3.61

Polar Surface Area

51.203

Acid Dissociation Constant (pKa)

21.19

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

1927-8331 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1927-8331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1927-8331?
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What is the minimum amount of 1927-8331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1927-8331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1927-8331
  • 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 1927-8331 available by request