C200-7982 Screening compound: 2-[1,5-dioxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(4-methoxybenzyl)acetamide

C200-7982 Screening compound: 2-[1,5-dioxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(4-methoxybenzyl)acetamide
C200-7982 Screening compound: 2-[1,5-dioxo-4-(2-thienylmethyl)-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 C200-7982
2-[1,5-dioxo-4-(2-thienylmethyl)-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

C200-7982

Molecular Formula

C22H19N5O4S2 (C22 H19 N5 O4 S2)

Compound Name

2-[1,5-dioxo-4-(2-thienylmethyl)-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-{712-dioxo-8-[(thiophen-2-yl)methyl]-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(Cc2cccs2)C4=O)=O)cc1

InChI

InChI=1S/C22H19N5O4S2/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

GBOSAKICGIIGRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

2.844

Water Solubility, LogSw

-3.29

Polar Surface Area

81.987

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 C200-7982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7982?
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What is the minimum amount of C200-7982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7982
  • 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 C200-7982 available by request