C887-1198 Screening compound: 7-{4-[4-(2-furylcarbonyl)piperazino]-4-oxobutyl}-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C887-1198 Screening compound: 7-{4-[4-(2-furylcarbonyl)piperazino]-4-oxobutyl}-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C887-1198 Screening compound: 7-{4-[4-(2-furylcarbonyl)piperazino]-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 C887-1198
7-{4-[4-(2-furylcarbonyl)piperazino]-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

C887-1198

Molecular Formula

C22H23N5O5 (C22 H23 N5 O5)

Compound Name

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

IUPAC name

10-{4-[4-(furan-2-carbonyl)piperazin-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)CCN1C(c1ccco1)=O)=O)C2=O

InChI

InChI=1S/C22H23N5O5/c1-15-23-26(21(29)17-14-19-16(27(15)17)6-13-32-19)7-2-5-20(28)24-8-10-25(11-9-24)22(30)18-4-3-12-31-18/h3-4,6,12-14H,2,5,7-11H2,1H3

InChI Key

ODXLAXJXYPCUHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.460

Distribution Coefficient, logD

0.459

Water Solubility, LogSw

-1.23

Polar Surface Area

79.253

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C887-1198 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 C887-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1198?
Check Price and Availability of C887-1198, 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 C887-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1198
  • 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 C887-1198 available by request