E514-0248 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-[(2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide

E514-0248 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-[(2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
E514-0248 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-[(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 E514-0248
N~1~-(5-chloro-2-methoxyphenyl)-2-[(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

E514-0248

Molecular Formula

C18H15ClN4O3S (C18 H15 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(n(cnnc2SCC(Nc(cc(cc3)Cl)c3OC)=O)c2c2)c2o1

InChI

InChI=1S/C18H15ClN4O3S/c1-10-5-13-16(26-10)7-14-18(22-20-9-23(13)14)27-8-17(24)21-12-6-11(19)3-4-15(12)25-2/h3-7,9H,8H2,1-2H3,(H,21,24)

InChI Key

VHHCDXJOSYALCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.137

Distribution Coefficient, logD

3.132

Water Solubility, LogSw

-3.53

Polar Surface Area

58.993

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E514-0248 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E514-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0248?
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What is the minimum amount of E514-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0248
  • 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 E514-0248 available by request