C200-7984 Screening compound: 2-[4-(2-furylmethyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(4-methoxybenzyl)acetamide

C200-7984 Screening compound: 2-[4-(2-furylmethyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(4-methoxybenzyl)acetamide
C200-7984 Screening compound: 2-[4-(2-furylmethyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(4-methoxybenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7984
2-[4-(2-furylmethyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(4-methoxybenzyl)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

C200-7984

Molecular Formula

C22H19N5O5S (C22 H19 N5 O5 S)

Compound Name

2-[4-(2-furylmethyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(4-methoxybenzyl)acetamide

IUPAC name

2-{8-[(furan-2-yl)methyl]-712-dioxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl}-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

COc1ccc(CNC(CN(C(N2c3c4scc3)=O)N=C2N(Cc2ccco2)C4=O)=O)cc1

InChI

InChI=1S/C22H19N5O5S/c1-31-15-6-4-14(5-7-15)11-23-18(28)13-26-22(30)27-17-8-10-33-19(17)20(29)25(21(27)24-26)12-16-3-2-9-32-16/h2-10H,11-13H2,1H3,(H,23,28)

InChI Key

XCWRGNOSEPXNTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.441

Distribution Coefficient, logD

2.441

Water Solubility, LogSw

-2.68

Polar Surface Area

88.718

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C200-7984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7984?
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What is the minimum amount of C200-7984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7984
  • 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 C200-7984 available by request