D509-0074 Screening compound: N-(2,6-difluorophenyl)-2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide

D509-0074 Screening compound: N-(2,6-difluorophenyl)-2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
D509-0074 Screening compound: N-(2,6-difluorophenyl)-2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D509-0074
N-(2,6-difluorophenyl)-2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide

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

D509-0074

Molecular Formula

C22H21F2N5O3S (C22 H21 F2 N5 O3 S)

Compound Name

N-(2,6-difluorophenyl)-2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide

IUPAC name

N-(26-difluorophenyl)-2-{[6-(2-acetamido-35-dimethylphenyl)-5-oxo-45-dihydro-124-triazin-3-yl]sulfanyl}propanamide

SMILES

CC(C(Nc(c(F)ccc1)c1F)=O)SC(N1)=NN=C(c(cc(C)cc2C)c2NC(C)=O)C1=O

InChI

InChI=1S/C22H21F2N5O3S/c1-10-8-11(2)17(25-13(4)30)14(9-10)18-21(32)27-22(29-28-18)33-12(3)20(31)26-19-15(23)6-5-7-16(19)24/h5-9,12H,1-4H3,(H,25,30)(H,26,31)(H,27,29,32)/t12-/m0/s1

InChI Key

RGEJOGLKMKJAOY-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27589944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.977

Distribution Coefficient, logD

2.963

Water Solubility, LogSw

-3.33

Polar Surface Area

88.629

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

D509-0074 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D509-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D509-0074?
Check Price and Availability of D509-0074, 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 D509-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D509-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D509-0074
  • 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 D509-0074 available by request