D306-0281 Screening compound: ethyl 2-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetate

D306-0281 Screening compound: ethyl 2-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetate
D306-0281 Screening compound: ethyl 2-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D306-0281
ethyl 2-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)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

D306-0281

Molecular Formula

C12H16N2O2S (C12 H16 N2 O2 S)

Compound Name

ethyl 2-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetate

IUPAC name

ethyl 2-({2-methyl-5H6H7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetate

SMILES

CCOC(CSc1nc(C)nc2c1CCC2)=O

InChI

InChI=1S/C12H16N2O2S/c1-3-16-11(15)7-17-12-9-5-4-6-10(9)13-8(2)14-12/h3-7H2,1-2H3

InChI Key

PQKPMMVVOFASJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.370

Distribution Coefficient, logD

2.363

Water Solubility, LogSw

-2.05

Polar Surface Area

40.500

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

D306-0281 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D306-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D306-0281?
Check Price and Availability of D306-0281, 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 D306-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D306-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D306-0281
  • 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 D306-0281 available by request