E514-0445 Screening compound: N~1~-mesityl-2-[(5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide

E514-0445 Screening compound: N~1~-mesityl-2-[(5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
E514-0445 Screening compound: N~1~-mesityl-2-[(5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E514-0445
N~1~-mesityl-2-[(5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-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

E514-0445

Molecular Formula

C22H24N4O2S (C22 H24 N4 O2 S)

Compound Name

N~1~-mesityl-2-[(5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide

IUPAC name

2-({12-methyl-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-yl}sulfanyl)-N-(246-trimethylphenyl)butanamide

SMILES

CCC(C(Nc1c(C)cc(C)cc1C)=O)Sc1nnc(C)n2c1cc1c2cco1

InChI

InChI=1S/C22H24N4O2S/c1-6-19(21(27)23-20-13(3)9-12(2)10-14(20)4)29-22-17-11-18-16(7-8-28-18)26(17)15(5)24-25-22/h7-11,19H,6H2,1-5H3,(H,23,27)/t19-/m0/s1

InChI Key

JHURFKYVCFDKOL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14893791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.168

Distribution Coefficient, logD

4.163

Water Solubility, LogSw

-4.11

Polar Surface Area

51.535

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

E514-0445 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E514-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0445?
Check Price and Availability of E514-0445, 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 E514-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0445
  • 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 E514-0445 available by request