5965-0215 Screening compound: (6E)-6-{[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-3-methyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5965-0215 Screening compound: (6E)-6-{[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-3-methyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
5965-0215 Screening compound: (6E)-6-{[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-3-methyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5965-0215
(6E)-6-{[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-3-methyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

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

5965-0215

Molecular Formula

C22H22N4O2S (C22 H22 N4 O2 S)

Compound Name

(6E)-6-{[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-3-methyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-6-{[1-(2-ethoxyphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-3-methyl-5H6H7H-[13]thiazolo[32-a]pyrimidin-7-one

SMILES

CCOc(cccc1)c1-n1c(C)c(/C=C(\C(N(C(C)=CS2)C2=N2)=N)/C2=O)cc1C

InChI

InChI=1S/C22H22N4O2S/c1-5-28-19-9-7-6-8-18(19)25-13(2)10-16(15(25)4)11-17-20(23)26-14(3)12-29-22(26)24-21(17)27/h6-12,23H,5H2,1-4H3

InChI Key

LJVXMFZXXBQDFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.869

Distribution Coefficient, logD

2.865

Water Solubility, LogSw

-3.37

Polar Surface Area

51.909

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

5965-0215 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 5965-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5965-0215?
Check Price and Availability of 5965-0215, 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 5965-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5965-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5965-0215
  • 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 5965-0215 available by request