C887-2570 Screening compound: N1-(2-METHYLBENZYL)-2-[8-OXOFURO[2'

C887-2570 Screening compound: N1-(2-METHYLBENZYL)-2-[8-OXOFURO[2'
C887-2570 Screening compound: N1-(2-METHYLBENZYL)-2-[8-OXOFURO[2' alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-2570
N1-(2-METHYLBENZYL)-2-[8-OXOFURO[2'

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

C887-2570

Molecular Formula

C20H20N4O3 (C20 H20 N4 O3)

Compound Name

N1-(2-METHYLBENZYL)-2-[8-OXOFURO[2'

IUPAC name

n/a

SMILES

CCC(C(NCc1c(C)cccc1)=O)N(C1=O)N=Cn2c1cc1c2cco1

InChI

InChI=1S/C20H20N4O3/c1-3-15(19(25)21-11-14-7-5-4-6-13(14)2)24-20(26)17-10-18-16(8-9-27-18)23(17)12-22-24/h4-10,12,15H,3,11H2,1-2H3,(H,21,25)/t15-/m0/s1

InChI Key

KEZSJKOZDIDFTP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14806087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

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

2.876

Distribution Coefficient, logD

2.876

Water Solubility, LogSw

-3.02

Polar Surface Area

60.958

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C887-2570 in Drug Discovery

Included in Screening Libraries

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

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 C887-2570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-2570?
Check Price and Availability of C887-2570, 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 C887-2570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-2570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-2570
  • 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 C887-2570 available by request