S020-1192 Screening compound: methyl 3-({4-oxo-2-phenyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl}amino)-3-phenylpropanoate

S020-1192 Screening compound: methyl 3-({4-oxo-2-phenyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl}amino)-3-phenylpropanoate
S020-1192 Screening compound: methyl 3-({4-oxo-2-phenyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl}amino)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-1192
methyl 3-({4-oxo-2-phenyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl}amino)-3-phenylpropanoate

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

S020-1192

Molecular Formula

C24H24N4O4 (C24 H24 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(CC(c1ccccc1)NC(N(CC1)CC(NC(c2ccccc2)=N2)=C1C2=O)=O)=O

InChI

InChI=1S/C24H24N4O4/c1-32-21(29)14-19(16-8-4-2-5-9-16)26-24(31)28-13-12-18-20(15-28)25-22(27-23(18)30)17-10-6-3-7-11-17/h2-11,19H,12-15H2,1H3,(H,26,31)(H,25,27,30)/t19-/m0/s1

InChI Key

BOHCRYIFIYFIFC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29031548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.636

Distribution Coefficient, logD

0.725

Water Solubility, LogSw

-3.06

Polar Surface Area

81.604

Acid Dissociation Constant (pKa)

5.49

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

S020-1192 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S020-1192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-1192?
Check Price and Availability of S020-1192, 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 S020-1192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-1192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-1192
  • 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 S020-1192 available by request