C887-3012 Screening compound: N~1~-(4-methylcyclohexyl)-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C887-3012 Screening compound: N~1~-(4-methylcyclohexyl)-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C887-3012 Screening compound: N~1~-(4-methylcyclohexyl)-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-3012
N~1~-(4-methylcyclohexyl)-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

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

C887-3012

Molecular Formula

C19H24N4O3 (C19 H24 N4 O3)

Compound Name

N~1~-(4-methylcyclohexyl)-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

IUPAC name

N-(4-methylcyclohexyl)-4-{9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}butanamide

SMILES

CC(CC1)CCC1NC(CCCN(C1=O)N=Cn2c1cc1c2cco1)=O

InChI

InChI=1S/C19H24N4O3/c1-13-4-6-14(7-5-13)21-18(24)3-2-9-23-19(25)16-11-17-15(8-10-26-17)22(16)12-20-23/h8,10-14H,2-7,9H2,1H3,(H,21,24)

InChI Key

GWVNYUUZEZQUHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.048

Distribution Coefficient, logD

2.048

Water Solubility, LogSw

-2.65

Polar Surface Area

62.331

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

C887-3012 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C887-3012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-3012?
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What is the minimum amount of C887-3012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-3012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-3012
  • 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 C887-3012 available by request