4550-0013 Screening compound: ethyl 4-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate

4550-0013 Screening compound: ethyl 4-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate
4550-0013 Screening compound: ethyl 4-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4550-0013
ethyl 4-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate

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

4550-0013

Molecular Formula

C15H17N3O3S2 (C15 H17 N3 O3 S2)

Compound Name

ethyl 4-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate

IUPAC name

ethyl 4-({12-amino-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)911-tetraen-10-yl}sulfanyl)-3-oxobutanoate

SMILES

CCOC(CC(CSc1nc(N)c(c(CCC2)c2s2)c2n1)=O)=O

InChI

InChI=1S/C15H17N3O3S2/c1-2-21-11(20)6-8(19)7-22-15-17-13(16)12-9-4-3-5-10(9)23-14(12)18-15/h2-7H2,1H3,(H2,16,17,18)

InChI Key

LWIFAPDDCCJZIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03146331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.629

Distribution Coefficient, logD

2.629

Water Solubility, LogSw

-2.65

Polar Surface Area

72.534

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

4550-0013 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Others
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 4550-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4550-0013?
Check Price and Availability of 4550-0013, 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 4550-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4550-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4550-0013
  • 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 4550-0013 available by request