C785-2765 Screening compound: N~1~-(3,4-diethoxyphenethyl)-4-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C785-2765 Screening compound: N~1~-(3,4-diethoxyphenethyl)-4-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C785-2765 Screening compound: N~1~-(3,4-diethoxyphenethyl)-4-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-2765
N~1~-(3,4-diethoxyphenethyl)-4-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

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

C785-2765

Molecular Formula

C25H30N4O4S (C25 H30 N4 O4 S)

Compound Name

N~1~-(3,4-diethoxyphenethyl)-4-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-4-{12-methyl-9-oxo-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}butanamide

SMILES

CCOc(ccc(CCNC(CCCN(C1=O)N=C(C)n2c1cc1c2ccs1)=O)c1)c1OCC

InChI

InChI=1S/C25H30N4O4S/c1-4-32-21-9-8-18(15-22(21)33-5-2)10-12-26-24(30)7-6-13-28-25(31)20-16-23-19(11-14-34-23)29(20)17(3)27-28/h8-9,11,14-16H,4-7,10,12-13H2,1-3H3,(H,26,30)

InChI Key

CIOZSCKKKLANMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.954

Distribution Coefficient, logD

1.952

Water Solubility, LogSw

-2.71

Polar Surface Area

69.106

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C785-2765 in Drug Discovery

Included in Screening Libraries

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

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 C785-2765 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-2765?
Check Price and Availability of C785-2765, 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 C785-2765 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-2765
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-2765
  • 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 C785-2765 available by request