C785-3739 Screening compound: 2,5-diethyl-7-{2-[4-(3-methoxyphenyl)piperazino]-2-oxoethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C785-3739 Screening compound: 2,5-diethyl-7-{2-[4-(3-methoxyphenyl)piperazino]-2-oxoethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C785-3739 Screening compound: 2,5-diethyl-7-{2-[4-(3-methoxyphenyl)piperazino]-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 C785-3739
2,5-diethyl-7-{2-[4-(3-methoxyphenyl)piperazino]-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

C785-3739

Molecular Formula

C25H29N5O3S (C25 H29 N5 O3 S)

Compound Name

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

IUPAC name

412-diethyl-10-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-9-one

SMILES

CCc1cc(n(c2c3)C(CC)=NN(CC(N(CC4)CCN4c4cc(OC)ccc4)=O)C2=O)c3s1

InChI

InChI=1S/C25H29N5O3S/c1-4-19-14-20-22(34-19)15-21-25(32)29(26-23(5-2)30(20)21)16-24(31)28-11-9-27(10-12-28)17-7-6-8-18(13-17)33-3/h6-8,13-15H,4-5,9-12,16H2,1-3H3

InChI Key

UVXSZXSSKZZIFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.658

Distribution Coefficient, logD

3.658

Water Solubility, LogSw

-3.89

Polar Surface Area

58.683

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C785-3739 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 C785-3739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-3739?
Check Price and Availability of C785-3739, 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 C785-3739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-3739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-3739
  • 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 C785-3739 available by request