D475-1642 Screening compound: methyl 2-[5-methyl-7-oxo-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetate

D475-1642 Screening compound: methyl 2-[5-methyl-7-oxo-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetate
D475-1642 Screening compound: methyl 2-[5-methyl-7-oxo-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D475-1642
methyl 2-[5-methyl-7-oxo-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetate

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

D475-1642

Molecular Formula

C13H12N4O3S (C13 H12 N4 O3 S)

Compound Name

methyl 2-[5-methyl-7-oxo-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetate

IUPAC name

methyl 2-[5-methyl-7-oxo-2-(thiophen-2-yl)-4H7H-[124]triazolo[15-a]pyrimidin-4-yl]acetate

SMILES

CC(N(CC(OC)=O)c1nc(-c2cccs2)nn11)=CC1=O

InChI

InChI=1S/C13H12N4O3S/c1-8-6-10(18)17-13(16(8)7-11(19)20-2)14-12(15-17)9-4-3-5-21-9/h3-6H,7H2,1-2H3

InChI Key

FSCWLIUTWQRWPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.571

Distribution Coefficient, logD

1.571

Water Solubility, LogSw

-2.26

Polar Surface Area

60.214

Acid Dissociation Constant (pKa)

18.58

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D475-1642 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D475-1642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D475-1642?
Check Price and Availability of D475-1642, 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 D475-1642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D475-1642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D475-1642
  • 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 D475-1642 available by request