8640-0248 Screening compound: N~1~-(4-acetylphenyl)-2-[6-ethyl-6-methyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3(6H)-yl]acetamide

8640-0248 Screening compound: N~1~-(4-acetylphenyl)-2-[6-ethyl-6-methyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3(6H)-yl]acetamide
8640-0248 Screening compound: N~1~-(4-acetylphenyl)-2-[6-ethyl-6-methyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3(6H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0248
N~1~-(4-acetylphenyl)-2-[6-ethyl-6-methyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3(6H)-yl]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

8640-0248

Molecular Formula

C21H22N4O4S (C21 H22 N4 O4 S)

Compound Name

N~1~-(4-acetylphenyl)-2-[6-ethyl-6-methyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3(6H)-yl]acetamide

IUPAC name

N-(4-acetylphenyl)-2-{12-ethyl-12-methyl-3-oxo-11-oxa-8-thia-456-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-4-yl}acetamide

SMILES

CCC(C)(C1)OCc2c1c(C(N(CC(Nc(cc1)ccc1C(C)=O)=O)N=N1)=O)c1s2

InChI

InChI=1S/C21H22N4O4S/c1-4-21(3)9-15-16(11-29-21)30-19-18(15)20(28)25(24-23-19)10-17(27)22-14-7-5-13(6-8-14)12(2)26/h5-8H,4,9-11H2,1-3H3,(H,22,27)/t21-/m0/s1

InChI Key

MOSZJAVPHSWNFL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD11851862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.367

Distribution Coefficient, logD

3.367

Water Solubility, LogSw

-3.59

Polar Surface Area

85.623

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 8640-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0248?
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What is the minimum amount of 8640-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0248
  • 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 8640-0248 available by request