C200-2370 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide

C200-2370 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
C200-2370 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2370
N~1~-(3,4-dimethoxyphenethyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide

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

C200-2370

Molecular Formula

C22H25N5O4S (C22 H25 N5 O4 S)

Compound Name

N~1~-(3,4-dimethoxyphenethyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-{8-methyl-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}butanamide

SMILES

CN(c1nnc(CCCC(NCCc(cc2)cc(OC)c2OC)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C22H25N5O4S/c1-26-21(29)20-15(10-12-32-20)27-18(24-25-22(26)27)5-4-6-19(28)23-11-9-14-7-8-16(30-2)17(13-14)31-3/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,23,28)

InChI Key

XMUFNBMAPMUQNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.732

Distribution Coefficient, logD

0.732

Water Solubility, LogSw

-2.29

Polar Surface Area

80.336

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C200-2370 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C200-2370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2370?
Check Price and Availability of C200-2370, 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 C200-2370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2370
  • 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 C200-2370 available by request