D243-0040 Screening compound: ethyl 4-(2-{4-oxo-6-phenyl-3H,4H-thieno[2,3-d][1,2,3]triazin-3-yl}acetamido)benzoate

D243-0040 Screening compound: ethyl 4-(2-{4-oxo-6-phenyl-3H,4H-thieno[2,3-d][1,2,3]triazin-3-yl}acetamido)benzoate
D243-0040 Screening compound: ethyl 4-(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 D243-0040
ethyl 4-(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

D243-0040

Molecular Formula

C22H18N4O4S (C22 H18 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CN1N=Nc(sc(-c2ccccc2)c2)c2C1=O)=O)=O

InChI

InChI=1S/C22H18N4O4S/c1-2-30-22(29)15-8-10-16(11-9-15)23-19(27)13-26-21(28)17-12-18(31-20(17)24-25-26)14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,23,27)

InChI Key

AZVYZLHJVLVTHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.634

Distribution Coefficient, logD

4.634

Water Solubility, LogSw

-4.37

Polar Surface Area

84.466

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D243-0040 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D243-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0040?
Check Price and Availability of D243-0040, 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 D243-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0040
  • 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 D243-0040 available by request