C785-1717 Screening compound: 7-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C785-1717 Screening compound: 7-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C785-1717 Screening compound: 7-{2-[4-(4-fluorophenyl)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 C785-1717
7-{2-[4-(4-fluorophenyl)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

C785-1717

Molecular Formula

C21H20FN5O2S (C21 H20 FN5 O2 S)

Compound Name

7-{2-[4-(4-fluorophenyl)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-fluorophenyl)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)ccc1F)=O)C2=O

InChI

InChI=1S/C21H20FN5O2S/c1-14-23-26(21(29)18-12-19-17(27(14)18)6-11-30-19)13-20(28)25-9-7-24(8-10-25)16-4-2-15(22)3-5-16/h2-6,11-12H,7-10,13H2,1H3

InChI Key

ATOAWHYLAPFSJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

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

2.453

Distribution Coefficient, logD

2.453

Water Solubility, LogSw

-2.70

Polar Surface Area

50.047

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C785-1717 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C785-1717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-1717?
Check Price and Availability of C785-1717, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C785-1717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-1717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-1717
  • 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 C785-1717 available by request