C887-1371 Screening compound: N~1~-[3-(2-ethylpiperidino)propyl]-4-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C887-1371 Screening compound: N~1~-[3-(2-ethylpiperidino)propyl]-4-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C887-1371 Screening compound: N~1~-[3-(2-ethylpiperidino)propyl]-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 C887-1371
N~1~-[3-(2-ethylpiperidino)propyl]-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

C887-1371

Molecular Formula

C23H33N5O3 (C23 H33 N5 O3)

Compound Name

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

IUPAC name

N-[3-(2-ethylpiperidin-1-yl)propyl]-4-{12-methyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}butanamide

SMILES

CCC1N(CCCNC(CCCN(C2=O)N=C(C)n3c2cc2c3cco2)=O)CCCC1

InChI

InChI=1S/C23H33N5O3/c1-3-18-8-4-5-12-26(18)13-7-11-24-22(29)9-6-14-27-23(30)20-16-21-19(10-15-31-21)28(20)17(2)25-27/h10,15-16,18H,3-9,11-14H2,1-2H3,(H,24,29)/t18-/m0/s1

InChI Key

USHNFFLSZKKTHI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14805927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.405

Distribution Coefficient, logD

-1.520

Water Solubility, LogSw

-2.11

Polar Surface Area

65.934

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

10.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.90

C887-1371 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 C887-1371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1371?
Check Price and Availability of C887-1371, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C887-1371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1371
  • 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 C887-1371 available by request