C887-1197 Screening compound: 7-{4-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-4-oxobutyl}-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C887-1197 Screening compound: 7-{4-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-4-oxobutyl}-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C887-1197 Screening compound: 7-{4-[4-(1,3-benzodioxol-5-ylmethyl)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 C887-1197
7-{4-[4-(1,3-benzodioxol-5-ylmethyl)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

C887-1197

Molecular Formula

C25H27N5O5 (C25 H27 N5 O5)

Compound Name

7-{4-[4-(1,3-benzodioxol-5-ylmethyl)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-[(2H-13-benzodioxol-5-yl)methyl]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(N1CCN(Cc(cc3)cc4c3OCO4)CC1)=O)C2=O

InChI

InChI=1S/C25H27N5O5/c1-17-26-29(25(32)20-14-22-19(30(17)20)6-12-33-22)7-2-3-24(31)28-10-8-27(9-11-28)15-18-4-5-21-23(13-18)35-16-34-21/h4-6,12-14H,2-3,7-11,15-16H2,1H3

InChI Key

NYSYVIVATLCTQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.52

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

1.440

Distribution Coefficient, logD

1.095

Water Solubility, LogSw

-1.93

Polar Surface Area

74.875

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C887-1197 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-1197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1197?
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What is the minimum amount of C887-1197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1197
  • 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 C887-1197 available by request