D243-0061 Screening compound: methyl 2-(2-{4-oxo-6-phenyl-3H,4H-thieno[2,3-d][1,2,3]triazin-3-yl}acetamido)benzoate

D243-0061 Screening compound: methyl 2-(2-{4-oxo-6-phenyl-3H,4H-thieno[2,3-d][1,2,3]triazin-3-yl}acetamido)benzoate
D243-0061 Screening compound: methyl 2-(2-{4-oxo-6-phenyl-3H,4H-thieno[2,3-d][1,2,3]triazin-3-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D243-0061
methyl 2-(2-{4-oxo-6-phenyl-3H,4H-thieno[2,3-d][1,2,3]triazin-3-yl}acetamido)benzoate

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

D243-0061

Molecular Formula

C21H16N4O4S (C21 H16 N4 O4 S)

Compound Name

methyl 2-(2-{4-oxo-6-phenyl-3H,4H-thieno[2,3-d][1,2,3]triazin-3-yl}acetamido)benzoate

IUPAC name

methyl 2-(2-{4-oxo-6-phenyl-3H4H-thieno[23-d][123]triazin-3-yl}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(CN1N=Nc(sc(-c2ccccc2)c2)c2C1=O)=O)=O

InChI

InChI=1S/C21H16N4O4S/c1-29-21(28)14-9-5-6-10-16(14)22-18(26)12-25-20(27)15-11-17(30-19(15)23-24-25)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,22,26)

InChI Key

POTUPQYQVGKVNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06638727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.757

Distribution Coefficient, logD

3.751

Water Solubility, LogSw

-4.03

Polar Surface Area

84.189

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D243-0061 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D243-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0061?
Check Price and Availability of D243-0061, 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 D243-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0061
  • 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 D243-0061 available by request