E580-0188 Screening compound: ethyl 2-(2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)acetate

E580-0188 Screening compound: ethyl 2-(2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)acetate
E580-0188 Screening compound: ethyl 2-(2-{[4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E580-0188
ethyl 2-(2-{[4-oxo-3-(2-phenylethyl)-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

E580-0188

Molecular Formula

C20H23N3O4S2 (C20 H23 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CNC(CSC(N(CCc1ccccc1)C1=O)=NC2=C1SCC2)=O)=O

InChI

InChI=1S/C20H23N3O4S2/c1-2-27-17(25)12-21-16(24)13-29-20-22-15-9-11-28-18(15)19(26)23(20)10-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,21,24)

InChI Key

RXPOUJQKAQTUFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05963706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.116

Distribution Coefficient, logD

2.116

Water Solubility, LogSw

-2.48

Polar Surface Area

70.988

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with E580-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E580-0188?
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What is the minimum amount of E580-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E580-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E580-0188
  • 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 E580-0188 available by request