4729-0371 Screening compound: 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide

4729-0371 Screening compound: 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide
4729-0371 Screening compound: 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4729-0371
2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)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

4729-0371

Molecular Formula

C24H14F3N3O3S (C24 H14 F3 N3 O3 S)

Compound Name

2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide

IUPAC name

2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(910-dioxo-910-dihydroanthracen-2-yl)acetamide

SMILES

Cc(nc1SCC(Nc(cc2)cc(C(c3c4cccc3)=O)c2C4=O)=O)cc(C(F)(F)F)c1C#N

InChI

InChI=1S/C24H14F3N3O3S/c1-12-8-19(24(25,26)27)18(10-28)23(29-12)34-11-20(31)30-13-6-7-16-17(9-13)22(33)15-5-3-2-4-14(15)21(16)32/h2-9H,11H2,1H3,(H,30,31)

InChI Key

SHCGDNCKPRTYIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01807957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.231

Distribution Coefficient, logD

5.230

Water Solubility, LogSw

-5.13

Polar Surface Area

74.668

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4729-0371 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4729-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4729-0371?
Check Price and Availability of 4729-0371, 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 4729-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4729-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4729-0371
  • 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 4729-0371 available by request