C785-1657 Screening compound: N~1~-{3-[4-(2,5-dimethylphenyl)piperazino]propyl}-2-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

C785-1657 Screening compound: N~1~-{3-[4-(2,5-dimethylphenyl)piperazino]propyl}-2-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide
C785-1657 Screening compound: N~1~-{3-[4-(2,5-dimethylphenyl)piperazino]propyl}-2-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-1657
N~1~-{3-[4-(2,5-dimethylphenyl)piperazino]propyl}-2-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

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

C785-1657

Molecular Formula

C26H32N6O2S (C26 H32 N6 O2 S)

Compound Name

N~1~-{3-[4-(2,5-dimethylphenyl)piperazino]propyl}-2-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

IUPAC name

N-{3-[4-(25-dimethylphenyl)piperazin-1-yl]propyl}-2-{12-methyl-9-oxo-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}acetamide

SMILES

Cc1cc(N2CCN(CCCNC(CN(C3=O)N=C(C)n4c3cc3c4ccs3)=O)CC2)c(C)cc1

InChI

InChI=1S/C26H32N6O2S/c1-18-5-6-19(2)22(15-18)30-12-10-29(11-13-30)9-4-8-27-25(33)17-31-26(34)23-16-24-21(7-14-35-24)32(23)20(3)28-31/h5-7,14-16H,4,8-13,17H2,1-3H3,(H,27,33)

InChI Key

ROAYYISNXHWHJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.221

Distribution Coefficient, logD

2.020

Water Solubility, LogSw

-3.33

Polar Surface Area

61.649

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C785-1657 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 C785-1657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-1657?
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What is the minimum amount of C785-1657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-1657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-1657
  • 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 C785-1657 available by request