C785-1724 Screening compound: 7-{2-[4-(4-methoxyphenyl)piperazino]-2-oxoethyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C785-1724 Screening compound: 7-{2-[4-(4-methoxyphenyl)piperazino]-2-oxoethyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C785-1724 Screening compound: 7-{2-[4-(4-methoxyphenyl)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 C785-1724
7-{2-[4-(4-methoxyphenyl)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

C785-1724

Molecular Formula

C22H23N5O3S (C22 H23 N5 O3 S)

Compound Name

7-{2-[4-(4-methoxyphenyl)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-(4-methoxyphenyl)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(n1c2cc3c1ccs3)=NN(CC(N(CC1)CCN1c(cc1)ccc1OC)=O)C2=O

InChI

InChI=1S/C22H23N5O3S/c1-15-23-26(22(29)19-13-20-18(27(15)19)7-12-31-20)14-21(28)25-10-8-24(9-11-25)16-3-5-17(30-2)6-4-16/h3-7,12-13H,8-11,14H2,1-2H3

InChI Key

PBFZSKBXXMVLTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.407

Distribution Coefficient, logD

2.406

Water Solubility, LogSw

-2.79

Polar Surface Area

57.591

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C785-1724 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C785-1724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-1724?
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What is the minimum amount of C785-1724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-1724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-1724
  • 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 C785-1724 available by request