E514-0001 Screening compound: 4-{4-[(FURO[2',3':4,5]PYRROLO[1,2-D][1,2,4]TRIAZIN-8-YLSULFANYL)METHYL]-5-METHYL-1,3-OXAZOL-2-YL}PHENYL METHYL ETHER

E514-0001 Screening compound: 4-{4-[(FURO[2',3':4,5]PYRROLO[1,2-D][1,2,4]TRIAZIN-8-YLSULFANYL)METHYL]-5-METHYL-1,3-OXAZOL-2-YL}PHENYL METHYL ETHER
E514-0001 Screening compound: 4-{4-[(FURO[2',3':4,5]PYRROLO[1,2-D][1,2,4]TRIAZIN-8-YLSULFANYL)METHYL]-5-METHYL-1,3-OXAZOL-2-YL}PHENYL METHYL ETHER alternative view

Chemical Structure Depiction of ChemDiv screening compound E514-0001
4-{4-[(FURO[2',3':4,5]PYRROLO[1,2-D][1,2,4]TRIAZIN-8-YLSULFANYL)METHYL]-5-METHYL-1,3-OXAZOL-2-YL}PHENYL METHYL ETHER

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

E514-0001

Molecular Formula

C20H16N4O3S (C20 H16 N4 O3 S)

Compound Name

4-{4-[(FURO[2',3':4,5]PYRROLO[1,2-D][1,2,4]TRIAZIN-8-YLSULFANYL)METHYL]-5-METHYL-1,3-OXAZOL-2-YL}PHENYL METHYL ETHER

IUPAC name

n/a

SMILES

Cc1c(CSc2nncn3c2cc2c3cco2)nc(-c(cc2)ccc2OC)o1

InChI

InChI=1S/C20H16N4O3S/c1-12-15(22-19(27-12)13-3-5-14(25-2)6-4-13)10-28-20-17-9-18-16(7-8-26-18)24(17)11-21-23-20/h3-9,11H,10H2,1-2H3

InChI Key

XMCTXBXGIBRGIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.555

Distribution Coefficient, logD

3.555

Water Solubility, LogSw

-3.75

Polar Surface Area

55.063

Acid Dissociation Constant (pKa)

28.33

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

E514-0001 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E514-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0001?
Check Price and Availability of E514-0001, 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 E514-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0001
  • 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 E514-0001 available by request