E513-1013 Screening compound: N~1~-(2,5-dimethylphenyl)-2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide

E513-1013 Screening compound: N~1~-(2,5-dimethylphenyl)-2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
E513-1013 Screening compound: N~1~-(2,5-dimethylphenyl)-2-[(5-ethylthieno[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 E513-1013
N~1~-(2,5-dimethylphenyl)-2-[(5-ethylthieno[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

E513-1013

Molecular Formula

C20H20N4OS2 (C20 H20 N4 OS2)

Compound Name

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

IUPAC name

N-(25-dimethylphenyl)-2-({12-ethyl-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-yl}sulfanyl)acetamide

SMILES

CCc(n1c2cc3c1ccs3)nnc2SCC(Nc1c(C)ccc(C)c1)=O

InChI

InChI=1S/C20H20N4OS2/c1-4-18-22-23-20(16-10-17-15(24(16)18)7-8-26-17)27-11-19(25)21-14-9-12(2)5-6-13(14)3/h5-10H,4,11H2,1-3H3,(H,21,25)

InChI Key

QLMQSZQPGZACFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.782

Distribution Coefficient, logD

3.779

Water Solubility, LogSw

-3.70

Polar Surface Area

44.765

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with E513-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-1013?
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What is the minimum amount of E513-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-1013
  • 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 E513-1013 available by request