C887-1458 Screening compound: 7-{4-[4-(2,5-dimethylphenyl)piperazino]-4-oxobutyl}-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C887-1458 Screening compound: 7-{4-[4-(2,5-dimethylphenyl)piperazino]-4-oxobutyl}-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C887-1458 Screening compound: 7-{4-[4-(2,5-dimethylphenyl)piperazino]-4-oxobutyl}-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-1458
7-{4-[4-(2,5-dimethylphenyl)piperazino]-4-oxobutyl}-5-ethylfuro[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

C887-1458

Molecular Formula

C26H31N5O3 (C26 H31 N5 O3)

Compound Name

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

IUPAC name

10-{4-[4-(25-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-12-ethyl-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-9-one

SMILES

CCC(n1c2cc3c1cco3)=NN(CCCC(N(CC1)CCN1c1c(C)ccc(C)c1)=O)C2=O

InChI

InChI=1S/C26H31N5O3/c1-4-24-27-30(26(33)22-17-23-20(31(22)24)9-15-34-23)10-5-6-25(32)29-13-11-28(12-14-29)21-16-18(2)7-8-19(21)3/h7-9,15-17H,4-6,10-14H2,1-3H3

InChI Key

CCYUBDMZXYNQKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.382

Distribution Coefficient, logD

3.378

Water Solubility, LogSw

-3.58

Polar Surface Area

58.270

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C887-1458 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-1458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1458?
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What is the minimum amount of C887-1458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1458
  • 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 C887-1458 available by request