C785-1260 Screening compound: N~1~-(2-methylcyclohexyl)-2-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide

C785-1260 Screening compound: N~1~-(2-methylcyclohexyl)-2-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide
C785-1260 Screening compound: N~1~-(2-methylcyclohexyl)-2-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-1260
N~1~-(2-methylcyclohexyl)-2-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide

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

C785-1260

Molecular Formula

C19H24N4O2S (C19 H24 N4 O2 S)

Compound Name

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

IUPAC name

2-{12-methyl-9-oxo-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}-N-(2-methylcyclohexyl)propanamide

SMILES

CC(C(NC1C(C)CCCC1)=O)N(C1=O)N=C(C)n2c1cc1c2ccs1

InChI

InChI=1S/C19H24N4O2S/c1-11-6-4-5-7-14(11)20-18(24)12(2)23-19(25)16-10-17-15(8-9-26-17)22(16)13(3)21-23/h8-12,14H,4-7H2,1-3H3,(H,20,24)

InChI Key

WYURPUULQOGUAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.70

Polar Surface Area

53.728

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.60

C785-1260 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C785-1260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-1260?
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What is the minimum amount of C785-1260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-1260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-1260
  • 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 C785-1260 available by request