E514-0816 Screening compound: N~1~-(2,4-dimethylphenyl)-2-[(5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide

E514-0816 Screening compound: N~1~-(2,4-dimethylphenyl)-2-[(5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
E514-0816 Screening compound: N~1~-(2,4-dimethylphenyl)-2-[(5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E514-0816
N~1~-(2,4-dimethylphenyl)-2-[(5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]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

E514-0816

Molecular Formula

C21H22N4O2S (C21 H22 N4 O2 S)

Compound Name

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

IUPAC name

N-(24-dimethylphenyl)-2-({12-ethyl-4-methyl-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-yl}sulfanyl)acetamide

SMILES

CCc(n1c2cc3c1cc(C)o3)nnc2SCC(Nc1c(C)cc(C)cc1)=O

InChI

InChI=1S/C21H22N4O2S/c1-5-19-23-24-21(17-10-18-16(25(17)19)9-14(4)27-18)28-11-20(26)22-15-7-6-12(2)8-13(15)3/h6-10H,5,11H2,1-4H3,(H,22,26)

InChI Key

HPMKNULYGIDPOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.5

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

4.144

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.04

Polar Surface Area

51.733

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with E514-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0816?
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What is the minimum amount of E514-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0816
  • 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 E514-0816 available by request