3971-0659 Screening compound: ethyl (2E)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-7-methyl-3-oxo-2-[(pyridin-2-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3971-0659 Screening compound: ethyl (2E)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-7-methyl-3-oxo-2-[(pyridin-2-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3971-0659 Screening compound: ethyl (2E)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-7-methyl-3-oxo-2-[(pyridin-2-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3971-0659
ethyl (2E)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-7-methyl-3-oxo-2-[(pyridin-2-yl)methylidene]-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

3971-0659

Molecular Formula

C27H27N3O5S (C27 H27 N3 O5 S)

Compound Name

ethyl (2E)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-7-methyl-3-oxo-2-[(pyridin-2-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2E)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-7-methyl-3-oxo-2-[(pyridin-2-yl)methylidene]-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(OCC)c1OCC=C)N1C2=O)=C(C)N=C1S/C2=C/c1ncccc1)=O

InChI

InChI=1S/C27H27N3O5S/c1-5-14-35-20-12-11-18(15-21(20)33-6-2)24-23(26(32)34-7-3)17(4)29-27-30(24)25(31)22(36-27)16-19-10-8-9-13-28-19/h5,8-13,15-16,24H,1,6-7,14H2,2-4H3/t24-/m1/s1

InChI Key

XKMPZCWXQZSHEM-XMMPIXPASA-N

MDL Number (MFCD)

MFCD02950816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.895

Distribution Coefficient, logD

3.895

Water Solubility, LogSw

-3.90

Polar Surface Area

70.005

Acid Dissociation Constant (pKa)

26.93

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

3971-0659 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3971-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3971-0659?
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What is the minimum amount of 3971-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3971-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3971-0659
  • 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 3971-0659 available by request