4277-1392 Screening compound: (6Z)-6-[(3-chloro-5-methoxy-4-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-2-methyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4277-1392 Screening compound: (6Z)-6-[(3-chloro-5-methoxy-4-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-2-methyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4277-1392 Screening compound: (6Z)-6-[(3-chloro-5-methoxy-4-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-2-methyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4277-1392
(6Z)-6-[(3-chloro-5-methoxy-4-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-2-methyl-5H,6H,7H-[1,3,4]thiadiazolo[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

4277-1392

Molecular Formula

C26H25ClN4O5S (C26 H25 ClN4 O5 S)

Compound Name

(6Z)-6-[(3-chloro-5-methoxy-4-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-2-methyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-[(3-chloro-5-methoxy-4-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-2-methyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CC(SC1=NC(/C2=C\c(cc3OC)cc(Cl)c3OCCOc(ccc(CC=C)c3)c3OC)=O)=NN1C2=N

InChI

InChI=1S/C26H25ClN4O5S/c1-5-6-16-7-8-20(21(13-16)33-3)35-9-10-36-23-19(27)12-17(14-22(23)34-4)11-18-24(28)31-26(29-25(18)32)37-15(2)30-31/h5,7-8,11-14,28H,1,6,9-10H2,2-4H3

InChI Key

TYPPSHJBBNGUDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.03

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.449

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-4.63

Polar Surface Area

84.277

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4277-1392 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 4277-1392 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4277-1392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4277-1392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4277-1392
  • 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 4277-1392 available by request