C887-0823 Screening compound: N~1~-{3-[cyclohexyl(methyl)amino]propyl}-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide

C887-0823 Screening compound: N~1~-{3-[cyclohexyl(methyl)amino]propyl}-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide
C887-0823 Screening compound: N~1~-{3-[cyclohexyl(methyl)amino]propyl}-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-0823
N~1~-{3-[cyclohexyl(methyl)amino]propyl}-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide

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

C887-0823

Molecular Formula

C22H31N5O3 (C22 H31 N5 O3)

Compound Name

N~1~-{3-[cyclohexyl(methyl)amino]propyl}-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide

IUPAC name

N-{3-[cyclohexyl(methyl)amino]propyl}-2-{12-methyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}propanamide

SMILES

CC(C(NCCCN(C)C1CCCCC1)=O)N(C1=O)N=C(C)n2c1cc1c2cco1

InChI

InChI=1S/C22H31N5O3/c1-15(21(28)23-11-7-12-25(3)17-8-5-4-6-9-17)27-22(29)19-14-20-18(10-13-30-20)26(19)16(2)24-27/h10,13-15,17H,4-9,11-12H2,1-3H3,(H,23,28)/t15-/m0/s1

InChI Key

NYXKTZKFGLPIOE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14805805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.172

Distribution Coefficient, logD

-0.411

Water Solubility, LogSw

-2.79

Polar Surface Area

63.945

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

C887-0823 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C887-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-0823?
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What is the minimum amount of C887-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-0823
  • 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 C887-0823 available by request