8561-07853 Screening compound: N-(4-chlorophenyl)-1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

8561-07853 Screening compound: N-(4-chlorophenyl)-1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide
8561-07853 Screening compound: N-(4-chlorophenyl)-1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8561-07853
N-(4-chlorophenyl)-1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

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

8561-07853

Molecular Formula

C16H15ClN4O4 (C16 H15 ClN4 O4)

Compound Name

N-(4-chlorophenyl)-1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

IUPAC name

N-(4-chlorophenyl)-13-dimethyl-247-trioxo-1H2H3H4H5H6H7H8H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

CN(C(C(C(CC(N1)=O)C(Nc(cc2)ccc2Cl)=O)=C1N1C)=O)C1=O

InChI

InChI=1S/C16H15ClN4O4/c1-20-13-12(15(24)21(2)16(20)25)10(7-11(22)19-13)14(23)18-9-5-3-8(17)4-6-9/h3-6,10H,7H2,1-2H3,(H,18,23)(H,19,22)/t10-/m1/s1

InChI Key

NFEBRJAHXMVPSU-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD07181738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.960

Distribution Coefficient, logD

0.953

Water Solubility, LogSw

-2.48

Polar Surface Area

79.240

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8561-07853 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8561-07853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8561-07853?
Check Price and Availability of 8561-07853, 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 8561-07853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8561-07853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8561-07853
  • 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 8561-07853 available by request