E140-0694 Screening compound: 2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide

E140-0694 Screening compound: 2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide
E140-0694 Screening compound: 2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E140-0694
2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide

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

E140-0694

Molecular Formula

C22H20F2N4O2S (C22 H20 F2 N4 O2 S)

Compound Name

2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide

IUPAC name

2-({6-benzyl-4-oxo-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-2-yl}sulfanyl)-N-(24-difluorophenyl)acetamide

SMILES

O=C(CSC(N1)=NC(CCN(Cc2ccccc2)C2)=C2C1=O)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C22H20F2N4O2S/c23-15-6-7-19(17(24)10-15)25-20(29)13-31-22-26-18-8-9-28(12-16(18)21(30)27-22)11-14-4-2-1-3-5-14/h1-7,10H,8-9,11-13H2,(H,25,29)(H,26,27,30)

InChI Key

ZDIOCIZLHBWIKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27597655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.449

Distribution Coefficient, logD

1.900

Water Solubility, LogSw

-2.86

Polar Surface Area

60.397

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with E140-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E140-0694?
Check Price and Availability of E140-0694, 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 E140-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E140-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E140-0694
  • 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 E140-0694 available by request