C660-1519 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-({5,6-dimethylfuro[2,3-d]pyrimidin-4-yl}oxy)acetamide

C660-1519 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-({5,6-dimethylfuro[2,3-d]pyrimidin-4-yl}oxy)acetamide
C660-1519 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-({5,6-dimethylfuro[2,3-d]pyrimidin-4-yl}oxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-1519
N-[2-(3,4-diethoxyphenyl)ethyl]-2-({5,6-dimethylfuro[2,3-d]pyrimidin-4-yl}oxy)acetamide

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

C660-1519

Molecular Formula

C22H27N3O5 (C22 H27 N3 O5)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-2-({5,6-dimethylfuro[2,3-d]pyrimidin-4-yl}oxy)acetamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-({56-dimethylfuro[23-d]pyrimidin-4-yl}oxy)acetamide

SMILES

CCOc(ccc(CCNC(COc1ncnc2c1c(C)c(C)o2)=O)c1)c1OCC

InChI

InChI=1S/C22H27N3O5/c1-5-27-17-8-7-16(11-18(17)28-6-2)9-10-23-19(26)12-29-21-20-14(3)15(4)30-22(20)25-13-24-21/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,23,26)

InChI Key

XYFSWIROLXZZOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.135

Distribution Coefficient, logD

2.135

Water Solubility, LogSw

-2.91

Polar Surface Area

74.887

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C660-1519 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C660-1519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-1519?
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What is the minimum amount of C660-1519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-1519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-1519
  • 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 C660-1519 available by request