C887-1190 Screening compound: 7-[4-(1,4'-bipiperidin-1'-yl)-4-oxobutyl]-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C887-1190 Screening compound: 7-[4-(1,4'-bipiperidin-1'-yl)-4-oxobutyl]-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C887-1190 Screening compound: 7-[4-(1,4'-bipiperidin-1'-yl)-4-oxobutyl]-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 C887-1190
7-[4-(1,4'-bipiperidin-1'-yl)-4-oxobutyl]-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

C887-1190

Molecular Formula

C23H31N5O3 (C23 H31 N5 O3)

Compound Name

7-[4-(1,4'-bipiperidin-1'-yl)-4-oxobutyl]-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

IUPAC name

10-(4-{[14'-bipiperidin]-1'-yl}-4-oxobutyl)-12-methyl-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-9-one

SMILES

CC(n1c2cc3c1cco3)=NN(CCCC(N(CC1)CCC1N1CCCCC1)=O)C2=O

InChI

InChI=1S/C23H31N5O3/c1-17-24-27(23(30)20-16-21-19(28(17)20)9-15-31-21)12-5-6-22(29)26-13-7-18(8-14-26)25-10-3-2-4-11-25/h9,15-16,18H,2-8,10-14H2,1H3

InChI Key

NKQOUNDAOWRTIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.600

Distribution Coefficient, logD

-1.955

Water Solubility, LogSw

-1.79

Polar Surface Area

57.312

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

10.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

C887-1190 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-1190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1190?
Check Price and Availability of C887-1190, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C887-1190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1190
  • 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 C887-1190 available by request