C785-1925 Screening compound: N~1~-{2-[cyclohexyl(methyl)amino]ethyl}-2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

C785-1925 Screening compound: N~1~-{2-[cyclohexyl(methyl)amino]ethyl}-2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide
C785-1925 Screening compound: N~1~-{2-[cyclohexyl(methyl)amino]ethyl}-2-[5-ethyl-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 C785-1925
N~1~-{2-[cyclohexyl(methyl)amino]ethyl}-2-[5-ethyl-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

C785-1925

Molecular Formula

C21H29N5O2S (C21 H29 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(n1c2cc3c1ccs3)=NN(CC(NCCN(C)C1CCCCC1)=O)C2=O

InChI

InChI=1S/C21H29N5O2S/c1-3-19-23-25(21(28)17-13-18-16(26(17)19)9-12-29-18)14-20(27)22-10-11-24(2)15-7-5-4-6-8-15/h9,12-13,15H,3-8,10-11,14H2,1-2H3,(H,22,27)

InChI Key

AHHTYUYZYHWEPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.394

Distribution Coefficient, logD

0.953

Water Solubility, LogSw

-2.82

Polar Surface Area

58.837

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

C785-1925 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C785-1925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-1925?
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What is the minimum amount of C785-1925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-1925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-1925
  • 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 C785-1925 available by request