M788-4647F Screening compound: 4-(4-ethoxyphenyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione

M788-4647F Screening compound: 4-(4-ethoxyphenyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione
M788-4647F Screening compound: 4-(4-ethoxyphenyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound M788-4647F
4-(4-ethoxyphenyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione

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

M788-4647F

Molecular Formula

C19H20N4O5 (C19 H20 N4 O5)

Compound Name

4-(4-ethoxyphenyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione

IUPAC name

4-(4-ethoxyphenyl)-1-[(3-ethyl-124-oxadiazol-5-yl)methyl]-1H2H3H4H5H7H-furo[34-d]pyrimidine-25-dione

SMILES

CCc1noc(CN(C(CO2)=C(C(c(cc3)ccc3OCC)N3)C2=O)C3=O)n1

InChI

InChI=1S/C19H20N4O5/c1-3-14-20-15(28-22-14)9-23-13-10-27-18(24)16(13)17(21-19(23)25)11-5-7-12(8-6-11)26-4-2/h5-8,17H,3-4,9-10H2,1-2H3,(H,21,25)/t17-/m0/s1

InChI Key

LNLFNJQFJYIAQD-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29002126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.133

Distribution Coefficient, logD

2.133

Water Solubility, LogSw

-2.72

Polar Surface Area

90.120

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

M788-4647F in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M788-4647F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M788-4647F?
Check Price and Availability of M788-4647F, 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 M788-4647F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M788-4647F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M788-4647F
  • 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 M788-4647F available by request