E514-0272 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-2-[(2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide

E514-0272 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-2-[(2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
E514-0272 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-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 E514-0272
N~1~-(5-chloro-2,4-dimethoxyphenyl)-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

E514-0272

Molecular Formula

C19H17ClN4O4S (C19 H17 ClN4 O4 S)

Compound Name

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

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-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(c(OC)c3)cc(Cl)c3OC)=O)c2c2)c2o1

InChI

InChI=1S/C19H17ClN4O4S/c1-10-4-13-17(28-10)6-14-19(23-21-9-24(13)14)29-8-18(25)22-12-5-11(20)15(26-2)7-16(12)27-3/h4-7,9H,8H2,1-3H3,(H,22,25)

InChI Key

DLTMBGLLENFMOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.183

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.50

Polar Surface Area

66.623

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with E514-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0272?
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What is the minimum amount of E514-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0272
  • 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 E514-0272 available by request