E726-0131 Screening compound: ethyl 4-amino-2-[(2-{[2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]amino}-2-oxoethyl)sulfanyl]-5-pyrimidinecarboxylate

E726-0131 Screening compound: ethyl 4-amino-2-[(2-{[2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]amino}-2-oxoethyl)sulfanyl]-5-pyrimidinecarboxylate
E726-0131 Screening compound: ethyl 4-amino-2-[(2-{[2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]amino}-2-oxoethyl)sulfanyl]-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E726-0131
ethyl 4-amino-2-[(2-{[2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]amino}-2-oxoethyl)sulfanyl]-5-pyrimidinecarboxylate

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

E726-0131

Molecular Formula

C19H20N6O4S2 (C19 H20 N6 O4 S2)

Compound Name

ethyl 4-amino-2-[(2-{[2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]amino}-2-oxoethyl)sulfanyl]-5-pyrimidinecarboxylate

IUPAC name

ethyl 4-amino-2-{[({10-methyl-12-oxo-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-11-yl}carbamoyl)methyl]sulfanyl}pyrimidine-5-carboxylate

SMILES

CCOC(c(cn1)c(N)nc1SCC(NN(C(C)=Nc1c2c(CCC3)c3s1)C2=O)=O)=O

InChI

InChI=1S/C19H20N6O4S2/c1-3-29-18(28)11-7-21-19(23-15(11)20)30-8-13(26)24-25-9(2)22-16-14(17(25)27)10-5-4-6-12(10)31-16/h7H,3-6,8H2,1-2H3,(H,24,26)(H2,20,21,23)

InChI Key

TUDMMWGOTURADA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.614

Distribution Coefficient, logD

1.614

Water Solubility, LogSw

-2.29

Polar Surface Area

110.028

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

-7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

E726-0131 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 E726-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E726-0131?
Check Price and Availability of E726-0131, 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 E726-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E726-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E726-0131
  • 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 E726-0131 available by request