C793-0238 Screening compound: 11-(1H-pyrrol-1-yl)-7,8,9,10-tetrahydro[1]benzothieno[3',2':4,5]pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one

C793-0238 Screening compound: 11-(1H-pyrrol-1-yl)-7,8,9,10-tetrahydro[1]benzothieno[3',2':4,5]pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
C793-0238 Screening compound: 11-(1H-pyrrol-1-yl)-7,8,9,10-tetrahydro[1]benzothieno[3',2':4,5]pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C793-0238
11-(1H-pyrrol-1-yl)-7,8,9,10-tetrahydro[1]benzothieno[3',2':4,5]pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one

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

C793-0238

Molecular Formula

C16H14N4OS (C16 H14 N4 OS)

Compound Name

11-(1H-pyrrol-1-yl)-7,8,9,10-tetrahydro[1]benzothieno[3',2':4,5]pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one

IUPAC name

8-(1H-pyrrol-1-yl)-16-thia-245-triazatetracyclo[7.7.0.0^{27}.0^{1015}]hexadeca-1(9)3710(15)-tetraen-6-one

SMILES

O=C1NN=Cn2c(sc3c4CCCC3)c4c(-n3cccc3)c12

InChI

InChI=1S/C16H14N4OS/c21-15-14-13(19-7-3-4-8-19)12-10-5-1-2-6-11(10)22-16(12)20(14)9-17-18-15/h3-4,7-9H,1-2,5-6H2,(H,18,21)

InChI Key

GSTHBKHNBPABFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.089

Distribution Coefficient, logD

2.714

Water Solubility, LogSw

-3.54

Polar Surface Area

43.627

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C793-0238 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C793-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C793-0238?
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What is the minimum amount of C793-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C793-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C793-0238
  • 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 C793-0238 available by request