D392-0280 Screening compound: 5-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-2-(propylsulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D392-0280 Screening compound: 5-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-2-(propylsulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D392-0280 Screening compound: 5-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-2-(propylsulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D392-0280
5-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-2-(propylsulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-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

D392-0280

Molecular Formula

C20H23N3O4S (C20 H23 N3 O4 S)

Compound Name

5-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-2-(propylsulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

5-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-2-(propylsulfanyl)-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CCCSC(N1)=NC(NC(CC2c(cccc3OC)c3OCC=C)=O)=C2C1=O

InChI

InChI=1S/C20H23N3O4S/c1-4-9-27-17-12(7-6-8-14(17)26-3)13-11-15(24)21-18-16(13)19(25)23-20(22-18)28-10-5-2/h4,6-8,13H,1,5,9-11H2,2-3H3,(H2,21,22,23,24,25)/t13-/m1/s1

InChI Key

HHEYRZMSITZOEI-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27582978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.531

Distribution Coefficient, logD

2.513

Water Solubility, LogSw

-2.98

Polar Surface Area

73.361

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

D392-0280 in Drug Discovery

Included in Screening Libraries

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 D392-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D392-0280?
Check Price and Availability of D392-0280, 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 D392-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D392-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D392-0280
  • 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 D392-0280 available by request