C785-1971 Screening compound: 1-{2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetyl}-4-piperidinecarboxamide

C785-1971 Screening compound: 1-{2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetyl}-4-piperidinecarboxamide
C785-1971 Screening compound: 1-{2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetyl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-1971
1-{2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetyl}-4-piperidinecarboxamide

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

C785-1971

Molecular Formula

C18H21N5O3S (C18 H21 N5 O3 S)

Compound Name

1-{2-[5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetyl}-4-piperidinecarboxamide

IUPAC name

1-(2-{12-ethyl-9-oxo-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}acetyl)piperidine-4-carboxamide

SMILES

CCC(n1c2cc3c1ccs3)=NN(CC(N(CC1)CCC1C(N)=O)=O)C2=O

InChI

InChI=1S/C18H21N5O3S/c1-2-15-20-22(10-16(24)21-6-3-11(4-7-21)17(19)25)18(26)13-9-14-12(23(13)15)5-8-27-14/h5,8-9,11H,2-4,6-7,10H2,1H3,(H2,19,25)

InChI Key

UPPAXRCPPIBZMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.384

Distribution Coefficient, logD

0.384

Water Solubility, LogSw

-2.00

Polar Surface Area

81.937

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C785-1971 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C785-1971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-1971?
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What is the minimum amount of C785-1971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-1971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-1971
  • 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 C785-1971 available by request