E513-0806 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide

E513-0806 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
E513-0806 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-[(5-methylthieno[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 E513-0806
N~1~-(3,4-dimethoxyphenyl)-2-[(5-methylthieno[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

E513-0806

Molecular Formula

C19H18N4O3S2 (C19 H18 N4 O3 S2)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-2-({12-methyl-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-yl}sulfanyl)acetamide

SMILES

Cc(n1c2cc3c1ccs3)nnc2SCC(Nc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C19H18N4O3S2/c1-11-21-22-19(14-9-17-13(23(11)14)6-7-27-17)28-10-18(24)20-12-4-5-15(25-2)16(8-12)26-3/h4-9H,10H2,1-3H3,(H,20,24)

InChI Key

XAJRHHLLORZPKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.646

Distribution Coefficient, logD

2.644

Water Solubility, LogSw

-3.06

Polar Surface Area

60.525

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with E513-0806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-0806?
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What is the minimum amount of E513-0806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-0806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-0806
  • 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 E513-0806 available by request