C887-1181 Screening compound: 5-methyl-7-[4-(4-methylpiperazino)-4-oxobutyl]furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C887-1181 Screening compound: 5-methyl-7-[4-(4-methylpiperazino)-4-oxobutyl]furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C887-1181 Screening compound: 5-methyl-7-[4-(4-methylpiperazino)-4-oxobutyl]furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-1181
5-methyl-7-[4-(4-methylpiperazino)-4-oxobutyl]furo[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

C887-1181

Molecular Formula

C18H23N5O3 (C18 H23 N5 O3)

Compound Name

5-methyl-7-[4-(4-methylpiperazino)-4-oxobutyl]furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

IUPAC name

n/a

SMILES

CC(n1c2cc3c1cco3)=NN(CCCC(N1CCN(C)CC1)=O)C2=O

InChI

InChI=1S/C18H23N5O3/c1-13-19-22(6-3-4-17(24)21-9-7-20(2)8-10-21)18(25)15-12-16-14(23(13)15)5-11-26-16/h5,11-12H,3-4,6-10H2,1-2H3

InChI Key

BROAKDRIBSEQET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.070

Distribution Coefficient, logD

-0.177

Water Solubility, LogSw

-1.31

Polar Surface Area

57.695

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C887-1181 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1181?
Check Price and Availability of C887-1181, 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 C887-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1181
  • 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 C887-1181 available by request