3537-5183 Screening compound: (6Z)-6-[(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-ethyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3537-5183 Screening compound: (6Z)-6-[(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-ethyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3537-5183 Screening compound: (6Z)-6-[(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-ethyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3537-5183
(6Z)-6-[(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-ethyl-5-imino-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

3537-5183

Molecular Formula

C26H25BrN4O4S (C26 H25 BrN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(SC1=NC(/C2=C\c(cc3OC)cc(Br)c3OCCOc3c(CC=C)cccc3)=O)=NN1C2=N

InChI

InChI=1S/C26H25BrN4O4S/c1-4-8-17-9-6-7-10-20(17)34-11-12-35-23-19(27)14-16(15-21(23)33-3)13-18-24(28)31-26(29-25(18)32)36-22(5-2)30-31/h4,6-7,9-10,13-15,28H,1,5,8,11-12H2,2-3H3

InChI Key

PSERDCADHWMWKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.192

Distribution Coefficient, logD

3.717

Water Solubility, LogSw

-4.99

Polar Surface Area

77.377

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 3537-5183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3537-5183?
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What is the minimum amount of 3537-5183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3537-5183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3537-5183
  • 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 3537-5183 available by request