S020-2398 Screening compound: methyl 3-{[2-(4-fluorophenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]amino}propanoate

S020-2398 Screening compound: methyl 3-{[2-(4-fluorophenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]amino}propanoate
S020-2398 Screening compound: methyl 3-{[2-(4-fluorophenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-2398
methyl 3-{[2-(4-fluorophenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]amino}propanoate

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

S020-2398

Molecular Formula

C18H19FN4O4 (C18 H19 FN4 O4)

Compound Name

methyl 3-{[2-(4-fluorophenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]amino}propanoate

IUPAC name

methyl 3-{[2-(4-fluorophenyl)-4-oxo-1H4H5H6H7H8H-pyrido[34-d]pyrimidine-7-carbonyl]amino}propanoate

SMILES

COC(CCNC(N(CC1)CC(NC(c(cc2)ccc2F)=N2)=C1C2=O)=O)=O

InChI

InChI=1S/C18H19FN4O4/c1-27-15(24)6-8-20-18(26)23-9-7-13-14(10-23)21-16(22-17(13)25)11-2-4-12(19)5-3-11/h2-5H,6-10H2,1H3,(H,20,26)(H,21,22,25)

InChI Key

WBIFTSOJCJVLJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27616693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.915

Distribution Coefficient, logD

-1.931

Water Solubility, LogSw

-2.10

Polar Surface Area

82.086

Acid Dissociation Constant (pKa)

4.56

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

S020-2398 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S020-2398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-2398?
Check Price and Availability of S020-2398, 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 S020-2398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-2398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-2398
  • 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 S020-2398 available by request