C785-4361 Screening compound: N~1~-(4-chlorophenethyl)-4-[2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C785-4361 Screening compound: N~1~-(4-chlorophenethyl)-4-[2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C785-4361 Screening compound: N~1~-(4-chlorophenethyl)-4-[2,5-diethyl-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 C785-4361
N~1~-(4-chlorophenethyl)-4-[2,5-diethyl-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

C785-4361

Molecular Formula

C24H27ClN4O2S (C24 H27 ClN4 O2 S)

Compound Name

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

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-4-{412-diethyl-9-oxo-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}butanamide

SMILES

CCc1cc(n(c2c3)C(CC)=NN(CCCC(NCCc(cc4)ccc4Cl)=O)C2=O)c3s1

InChI

InChI=1S/C24H27ClN4O2S/c1-3-18-14-19-21(32-18)15-20-24(31)28(27-22(4-2)29(19)20)13-5-6-23(30)26-12-11-16-7-9-17(25)10-8-16/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,26,30)

InChI Key

ZBUHVAZMILHBEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.788

Distribution Coefficient, logD

3.772

Water Solubility, LogSw

-4.25

Polar Surface Area

55.777

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C785-4361 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system

References: we are preparing a list of scientific research reports with C785-4361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-4361?
Check Price and Availability of C785-4361, 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 C785-4361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-4361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-4361
  • 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 C785-4361 available by request