C887-1180 Screening compound: N~1~-benzyl-N~1~-ethyl-4-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C887-1180 Screening compound: N~1~-benzyl-N~1~-ethyl-4-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C887-1180 Screening compound: N~1~-benzyl-N~1~-ethyl-4-[5-methyl-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 C887-1180
N~1~-benzyl-N~1~-ethyl-4-[5-methyl-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

C887-1180

Molecular Formula

C22H24N4O3 (C22 H24 N4 O3)

Compound Name

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

IUPAC name

N-benzyl-N-ethyl-4-{12-methyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}butanamide

SMILES

CCN(Cc1ccccc1)C(CCCN(C1=O)N=C(C)n2c1cc1c2cco1)=O

InChI

InChI=1S/C22H24N4O3/c1-3-24(15-17-8-5-4-6-9-17)21(27)10-7-12-25-22(28)19-14-20-18(11-13-29-20)26(19)16(2)23-25/h4-6,8-9,11,13-14H,3,7,10,12,15H2,1-2H3

InChI Key

BAODWFAETSUOCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.223

Distribution Coefficient, logD

2.221

Water Solubility, LogSw

-2.57

Polar Surface Area

53.506

Acid Dissociation Constant (pKa)

23.87

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C887-1180 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 C887-1180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1180?
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What is the minimum amount of C887-1180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1180
  • 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 C887-1180 available by request