E580-0068 Screening compound: ethyl 2-[2-({3-benzyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]acetate

E580-0068 Screening compound: ethyl 2-[2-({3-benzyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]acetate
E580-0068 Screening compound: ethyl 2-[2-({3-benzyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E580-0068
ethyl 2-[2-({3-benzyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]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

E580-0068

Molecular Formula

C19H21N3O4S2 (C19 H21 N3 O4 S2)

Compound Name

ethyl 2-[2-({3-benzyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]acetate

IUPAC name

ethyl 2-[2-({3-benzyl-4-oxo-3H4H6H7H-thieno[32-d]pyrimidin-2-yl}sulfanyl)acetamido]acetate

SMILES

CCOC(CNC(CSC(N(Cc1ccccc1)C1=O)=NC2=C1SCC2)=O)=O

InChI

InChI=1S/C19H21N3O4S2/c1-2-26-16(24)10-20-15(23)12-28-19-21-14-8-9-27-17(14)18(25)22(19)11-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,20,23)

InChI Key

KZWGLSCOKZKIDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05963643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.017

Distribution Coefficient, logD

2.017

Water Solubility, LogSw

-2.34

Polar Surface Area

71.010

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with E580-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E580-0068?
Check Price and Availability of E580-0068, 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 E580-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E580-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E580-0068
  • 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 E580-0068 available by request