3537-5150 Screening compound: (6Z)-6-[(3-bromo-4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-5-methoxyphenyl)methylidene]-2-ethyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3537-5150 Screening compound: (6Z)-6-[(3-bromo-4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-5-methoxyphenyl)methylidene]-2-ethyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3537-5150 Screening compound: (6Z)-6-[(3-bromo-4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-5-methoxyphenyl)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 3537-5150
(6Z)-6-[(3-bromo-4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-5-methoxyphenyl)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

3537-5150

Molecular Formula

C27H29BrN4O4S (C27 H29 BrN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)c(cc1)ccc1OCCOc(c(OC)cc(/C=C(/C(N1N=C(CC)SC1=N1)=N)\C1=O)c1)c1Br

InChI

InChI=1S/C27H29BrN4O4S/c1-5-16(3)18-7-9-19(10-8-18)35-11-12-36-24-21(28)14-17(15-22(24)34-4)13-20-25(29)32-27(30-26(20)33)37-23(6-2)31-32/h7-10,13-16,29H,5-6,11-12H2,1-4H3/t16-/m0/s1

InChI Key

SXHFQXSZWJKYQF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02643040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.52

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

6.169

Distribution Coefficient, logD

4.695

Water Solubility, LogSw

-5.44

Polar Surface Area

77.290

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

3537-5150 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 3537-5150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3537-5150?
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What is the minimum amount of 3537-5150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3537-5150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3537-5150
  • 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 3537-5150 available by request