Y020-7136 Screening compound: 5-(3-chlorophenyl)-1,3,8,8-tetramethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

Y020-7136 Screening compound: 5-(3-chlorophenyl)-1,3,8,8-tetramethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione
Y020-7136 Screening compound: 5-(3-chlorophenyl)-1,3,8,8-tetramethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7136
5-(3-chlorophenyl)-1,3,8,8-tetramethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

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

Y020-7136

Molecular Formula

C21H22ClN3O3 (C21 H22 ClN3 O3)

Compound Name

5-(3-chlorophenyl)-1,3,8,8-tetramethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

IUPAC name

5-(3-chlorophenyl)-1388-tetramethyl-1H2H3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-246-trione

SMILES

CC(C)(C1)CC(NC(N(C)C(N2C)=O)=C(C3c4cccc(Cl)c4)C2=O)=C3C1=O

InChI

InChI=1S/C21H22ClN3O3/c1-21(2)9-13-16(14(26)10-21)15(11-6-5-7-12(22)8-11)17-18(23-13)24(3)20(28)25(4)19(17)27/h5-8,15,23H,9-10H2,1-4H3/t15-/m0/s1

InChI Key

CFCQDLGQEHBVSM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03133252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.352

Distribution Coefficient, logD

0.977

Water Solubility, LogSw

-3.69

Polar Surface Area

55.359

Acid Dissociation Constant (pKa)

5.03

Base Dissociation Constant (pKb)

-8.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

Y020-7136 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y020-7136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7136?
Check Price and Availability of Y020-7136, 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 Y020-7136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7136
  • 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 Y020-7136 available by request