2187-3646 Screening compound: ethyl (2E)-2-{[4-(dimethylamino)phenyl]methylidene}-5-(2-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2187-3646 Screening compound: ethyl (2E)-2-{[4-(dimethylamino)phenyl]methylidene}-5-(2-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2187-3646 Screening compound: ethyl (2E)-2-{[4-(dimethylamino)phenyl]methylidene}-5-(2-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2187-3646
ethyl (2E)-2-{[4-(dimethylamino)phenyl]methylidene}-5-(2-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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

2187-3646

Molecular Formula

C25H24FN3O3S (C25 H24 FN3 O3 S)

Compound Name

ethyl (2E)-2-{[4-(dimethylamino)phenyl]methylidene}-5-(2-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2E)-2-{[4-(dimethylamino)phenyl]methylidene}-5-(2-fluorophenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cccc1)c1F)N1C2=O)=C(C)N=C1S/C2=C/c(cc1)ccc1N(C)C)=O

InChI

InChI=1S/C25H24FN3O3S/c1-5-32-24(31)21-15(2)27-25-29(22(21)18-8-6-7-9-19(18)26)23(30)20(33-25)14-16-10-12-17(13-11-16)28(3)4/h6-14,22H,5H2,1-4H3/t22-/m1/s1

InChI Key

NDUQITWCPWKJJR-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD00728453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.759

Distribution Coefficient, logD

4.759

Water Solubility, LogSw

-4.51

Polar Surface Area

48.552

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 2187-3646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-3646?
Check Price and Availability of 2187-3646, 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 2187-3646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-3646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-3646
  • 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 2187-3646 available by request