C200-4164 Screening compound: 3-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(4-methoxyphenyl)propanamide

C200-4164 Screening compound: 3-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(4-methoxyphenyl)propanamide
C200-4164 Screening compound: 3-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(4-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4164
3-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(4-methoxyphenyl)propanamide

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

C200-4164

Molecular Formula

C19H19N5O3S (C19 H19 N5 O3 S)

Compound Name

3-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(4-methoxyphenyl)propanamide

IUPAC name

3-{8-ethyl-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}-N-(4-methoxyphenyl)propanamide

SMILES

CCN(c1nnc(CCC(Nc(cc2)ccc2OC)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C19H19N5O3S/c1-3-23-18(26)17-14(10-11-28-17)24-15(21-22-19(23)24)8-9-16(25)20-12-4-6-13(27-2)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,25)

InChI Key

ZNEBMDFYAWGQTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.092

Distribution Coefficient, logD

2.092

Water Solubility, LogSw

-2.83

Polar Surface Area

71.414

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C200-4164 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C200-4164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4164?
Check Price and Availability of C200-4164, 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 C200-4164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4164
  • 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 C200-4164 available by request