D509-0124 Screening compound: N-(2,3-dimethylphenyl)-2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide

D509-0124 Screening compound: N-(2,3-dimethylphenyl)-2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide
D509-0124 Screening compound: N-(2,3-dimethylphenyl)-2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D509-0124
N-(2,3-dimethylphenyl)-2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide

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

D509-0124

Molecular Formula

C25H29N5O3S (C25 H29 N5 O3 S)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-2-{[6-(2-acetamido-35-dimethylphenyl)-5-oxo-45-dihydro-124-triazin-3-yl]sulfanyl}butanamide

SMILES

CCC(C(Nc1c(C)c(C)ccc1)=O)SC(N1)=NN=C(c(cc(C)cc2C)c2NC(C)=O)C1=O

InChI

InChI=1S/C25H29N5O3S/c1-7-20(23(32)27-19-10-8-9-14(3)16(19)5)34-25-28-24(33)22(29-30-25)18-12-13(2)11-15(4)21(18)26-17(6)31/h8-12,20H,7H2,1-6H3,(H,26,31)(H,27,32)(H,28,30,33)/t20-/m0/s1

InChI Key

PIWMMAKELNDYSZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27589971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.231

Water Solubility, LogSw

-4.18

Polar Surface Area

89.327

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

D509-0124 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D509-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D509-0124?
Check Price and Availability of D509-0124, 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 D509-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D509-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D509-0124
  • 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 D509-0124 available by request