C785-0248 Screening compound: 7-[2-(1-azepanyl)-2-oxoethyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C785-0248 Screening compound: 7-[2-(1-azepanyl)-2-oxoethyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C785-0248 Screening compound: 7-[2-(1-azepanyl)-2-oxoethyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-0248
7-[2-(1-azepanyl)-2-oxoethyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-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

C785-0248

Molecular Formula

C16H18N4O2S (C16 H18 N4 O2 S)

Compound Name

7-[2-(1-azepanyl)-2-oxoethyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

IUPAC name

10-[2-(azepan-1-yl)-2-oxoethyl]-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-9-one

SMILES

O=C(CN(C1=O)N=Cn2c1cc1c2ccs1)N1CCCCCC1

InChI

InChI=1S/C16H18N4O2S/c21-15(18-6-3-1-2-4-7-18)10-20-16(22)13-9-14-12(5-8-23-14)19(13)11-17-20/h5,8-9,11H,1-4,6-7,10H2

InChI Key

ZRJXQBPLWJQVEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.523

Distribution Coefficient, logD

1.523

Water Solubility, LogSw

-2.32

Polar Surface Area

47.425

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

C785-0248 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C785-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-0248?
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What is the minimum amount of C785-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-0248
  • 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 C785-0248 available by request