C887-1716 Screening compound: 7-(1-{[4-(4-chlorophenyl)piperazino]carbonyl}propyl)-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C887-1716 Screening compound: 7-(1-{[4-(4-chlorophenyl)piperazino]carbonyl}propyl)-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C887-1716 Screening compound: 7-(1-{[4-(4-chlorophenyl)piperazino]carbonyl}propyl)-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-1716
7-(1-{[4-(4-chlorophenyl)piperazino]carbonyl}propyl)-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

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

C887-1716

Molecular Formula

C23H24ClN5O3 (C23 H24 ClN5 O3)

Compound Name

7-(1-{[4-(4-chlorophenyl)piperazino]carbonyl}propyl)-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

IUPAC name

10-{1-[4-(4-chlorophenyl)piperazin-1-yl]-1-oxobutan-2-yl}-12-methyl-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-9-one

SMILES

CCC(C(N(CC1)CCN1c(cc1)ccc1Cl)=O)N(C1=O)N=C(C)n2c1cc1c2cco1

InChI

InChI=1S/C23H24ClN5O3/c1-3-18(22(30)27-11-9-26(10-12-27)17-6-4-16(24)5-7-17)29-23(31)20-14-21-19(8-13-32-21)28(20)15(2)25-29/h4-8,13-14,18H,3,9-12H2,1-2H3/t18-/m0/s1

InChI Key

NGKUPDHMTVFJKL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14805999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.728

Distribution Coefficient, logD

3.728

Water Solubility, LogSw

-4.14

Polar Surface Area

56.146

Acid Dissociation Constant (pKa)

17.49

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C887-1716 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C887-1716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1716?
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What is the minimum amount of C887-1716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1716
  • 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 C887-1716 available by request