S020-0271 Screening compound: methyl 4-({[4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7(1H)-yl]carbonyl}amino)benzoate

S020-0271 Screening compound: methyl 4-({[4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7(1H)-yl]carbonyl}amino)benzoate
S020-0271 Screening compound: methyl 4-({[4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7(1H)-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-0271
methyl 4-({[4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7(1H)-yl]carbonyl}amino)benzoate

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

S020-0271

Molecular Formula

C16H16N4O4 (C16 H16 N4 O4)

Compound Name

methyl 4-({[4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7(1H)-yl]carbonyl}amino)benzoate

IUPAC name

methyl 4-({4-oxo-1H4H5H6H7H8H-pyrido[34-d]pyrimidine-7-carbonyl}amino)benzoate

SMILES

COC(c(cc1)ccc1NC(N(CC1)CC(NC=N2)=C1C2=O)=O)=O

InChI

InChI=1S/C16H16N4O4/c1-24-15(22)10-2-4-11(5-3-10)19-16(23)20-7-6-12-13(8-20)17-9-18-14(12)21/h2-5,9H,6-8H2,1H3,(H,19,23)(H,17,18,21)

InChI Key

GBNCGVAGUFIRJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.732

Distribution Coefficient, logD

0.374

Water Solubility, LogSw

-1.94

Polar Surface Area

82.290

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

S020-0271 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S020-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-0271?
Check Price and Availability of S020-0271, 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 S020-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-0271
  • 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 S020-0271 available by request