C200-7475 Screening compound: 2-(2-chloro-6-fluorobenzyl)-4-(3,4-diethoxybenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

C200-7475 Screening compound: 2-(2-chloro-6-fluorobenzyl)-4-(3,4-diethoxybenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
C200-7475 Screening compound: 2-(2-chloro-6-fluorobenzyl)-4-(3,4-diethoxybenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7475
2-(2-chloro-6-fluorobenzyl)-4-(3,4-diethoxybenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

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

C200-7475

Molecular Formula

C25H22ClFN4O4S (C25 H22 ClFN4 O4 S)

Compound Name

2-(2-chloro-6-fluorobenzyl)-4-(3,4-diethoxybenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

IUPAC name

11-[(2-chloro-6-fluorophenyl)methyl]-8-[(34-diethoxyphenyl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-triene-712-dione

SMILES

CCOc(ccc(CN(C(N1c2c3scc2)=NN(Cc(c(F)ccc2)c2Cl)C1=O)C3=O)c1)c1OCC

InChI

InChI=1S/C25H22ClFN4O4S/c1-3-34-20-9-8-15(12-21(20)35-4-2)13-29-23(32)22-19(10-11-36-22)31-24(29)28-30(25(31)33)14-16-17(26)6-5-7-18(16)27/h5-12H,3-4,13-14H2,1-2H3

InChI Key

UYNSUBBMBMLVJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.717

Distribution Coefficient, logD

4.717

Water Solubility, LogSw

-4.88

Polar Surface Area

63.374

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C200-7475 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-7475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7475?
Check Price and Availability of C200-7475, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-7475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7475
  • 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 C200-7475 available by request