F853-0696 Screening compound: 6-(4-chlorobenzenesulfonyl)-N-(3,5-dimethoxyphenyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine

F853-0696 Screening compound: 6-(4-chlorobenzenesulfonyl)-N-(3,5-dimethoxyphenyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine
F853-0696 Screening compound: 6-(4-chlorobenzenesulfonyl)-N-(3,5-dimethoxyphenyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F853-0696
6-(4-chlorobenzenesulfonyl)-N-(3,5-dimethoxyphenyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine

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

F853-0696

Molecular Formula

C21H21ClN4O4S (C21 H21 ClN4 O4 S)

Compound Name

6-(4-chlorobenzenesulfonyl)-N-(3,5-dimethoxyphenyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine

IUPAC name

6-(4-chlorobenzenesulfonyl)-N-(35-dimethoxyphenyl)-5H6H7H8H-pyrido[43-d]pyrimidin-2-amine

SMILES

COc1cc(Nc2nc(CCN(C3)S(c(cc4)ccc4Cl)(=O)=O)c3cn2)cc(OC)c1

InChI

InChI=1S/C21H21ClN4O4S/c1-29-17-9-16(10-18(11-17)30-2)24-21-23-12-14-13-26(8-7-20(14)25-21)31(27,28)19-5-3-15(22)4-6-19/h3-6,9-12H,7-8,13H2,1-2H3,(H,23,24,25)

InChI Key

MJLXSDOXZAGLLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27200024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.198

Distribution Coefficient, logD

4.198

Water Solubility, LogSw

-4.47

Polar Surface Area

77.339

Acid Dissociation Constant (pKa)

16.35

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F853-0696 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F853-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F853-0696?
Check Price and Availability of F853-0696, 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 F853-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F853-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F853-0696
  • 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 F853-0696 available by request