7954-3774 Screening compound: 7-amino-5-{3-ethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}-4-hydroxy-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

7954-3774 Screening compound: 7-amino-5-{3-ethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}-4-hydroxy-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
7954-3774 Screening compound: 7-amino-5-{3-ethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}-4-hydroxy-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 7954-3774
7-amino-5-{3-ethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}-4-hydroxy-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

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

7954-3774

Molecular Formula

C22H25N5O5 (C22 H25 N5 O5)

Compound Name

7-amino-5-{3-ethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}-4-hydroxy-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

IUPAC name

7-amino-5-{3-ethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}-4-hydroxy-5H-pyrano[23-d]pyrimidine-6-carbonitrile

SMILES

CCOc(cc(C1C(C#N)=C(N)Oc2ncnc(O)c12)cc1)c1OCCN1CCOCC1

InChI

InChI=1S/C22H25N5O5/c1-2-30-17-11-14(3-4-16(17)31-10-7-27-5-8-29-9-6-27)18-15(12-23)20(24)32-22-19(18)21(28)25-13-26-22/h3-4,11,13,18H,2,5-10,24H2,1H3,(H,25,26,28)/t18-/m0/s1

InChI Key

BSCDBKNSPUXXLL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03863518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.499

Distribution Coefficient, logD

0.392

Water Solubility, LogSw

-1.59

Polar Surface Area

110.317

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

7954-3774 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Autophagy-Targeted Library (4564 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 7954-3774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7954-3774?
Check Price and Availability of 7954-3774, 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 7954-3774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7954-3774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7954-3774
  • 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 7954-3774 available by request