E514-0112 Screening compound: [2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl sulfide

E514-0112 Screening compound: [2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl sulfide
E514-0112 Screening compound: [2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound E514-0112
[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl sulfide

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

E514-0112

Molecular Formula

C19H13BrN4O2S (C19 H13 BrN4 O2 S)

Compound Name

[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl sulfide

IUPAC name

9-({[2-(3-bromophenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

Cc1c(CSc2nncn3c2cc2c3cco2)nc(-c2cccc(Br)c2)o1

InChI

InChI=1S/C19H13BrN4O2S/c1-11-14(22-18(26-11)12-3-2-4-13(20)7-12)9-27-19-16-8-17-15(5-6-25-17)24(16)10-21-23-19/h2-8,10H,9H2,1H3

InChI Key

YIHGYHROLOOPSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.341

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.48

Polar Surface Area

47.519

Acid Dissociation Constant (pKa)

28.33

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

E514-0112 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E514-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0112?
Check Price and Availability of E514-0112, 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 E514-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0112
  • 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 E514-0112 available by request