C785-1697 Screening compound: 7-{2-[4-(5-chloro-2-methylphenyl)piperazino]-2-oxoethyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C785-1697 Screening compound: 7-{2-[4-(5-chloro-2-methylphenyl)piperazino]-2-oxoethyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C785-1697 Screening compound: 7-{2-[4-(5-chloro-2-methylphenyl)piperazino]-2-oxoethyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-1697
7-{2-[4-(5-chloro-2-methylphenyl)piperazino]-2-oxoethyl}-5-methylthieno[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

C785-1697

Molecular Formula

C22H22ClN5O2S (C22 H22 ClN5 O2 S)

Compound Name

7-{2-[4-(5-chloro-2-methylphenyl)piperazino]-2-oxoethyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

IUPAC name

10-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-12-methyl-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-9-one

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(CN(C1=O)N=C(C)n2c1cc1c2ccs1)=O

InChI

InChI=1S/C22H22ClN5O2S/c1-14-3-4-16(23)11-18(14)25-6-8-26(9-7-25)21(29)13-27-22(30)19-12-20-17(5-10-31-20)28(19)15(2)24-27/h3-5,10-12H,6-9,13H2,1-2H3

InChI Key

IWBSCCOAMNREMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.585

Distribution Coefficient, logD

3.585

Water Solubility, LogSw

-3.81

Polar Surface Area

49.746

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C785-1697 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C785-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-1697?
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What is the minimum amount of C785-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-1697
  • 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 C785-1697 available by request