E513-0092 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)acetamide

E513-0092 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)acetamide
E513-0092 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E513-0092
N~1~-(5-chloro-2-methoxyphenyl)-2-(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)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

E513-0092

Molecular Formula

C17H13ClN4O2S2 (C17 H13 ClN4 O2 S2)

Compound Name

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

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-{5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-ylsulfanyl}acetamide

SMILES

COc(ccc(Cl)c1)c1NC(CSc1nncn2c1cc1c2ccs1)=O

InChI

InChI=1S/C17H13ClN4O2S2/c1-24-14-3-2-10(18)6-11(14)20-16(23)8-26-17-13-7-15-12(4-5-25-15)22(13)9-19-21-17/h2-7,9H,8H2,1H3,(H,20,23)

InChI Key

QZPHYQWCKKATHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.9

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

3.216

Distribution Coefficient, logD

3.211

Water Solubility, LogSw

-3.55

Polar Surface Area

52.025

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with E513-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-0092?
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What is the minimum amount of E513-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-0092
  • 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 E513-0092 available by request