3537-5255 Screening compound: (6Z)-6-({5-bromo-2-[2-(4-bromophenoxy)ethoxy]phenyl}methylidene)-2-ethyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3537-5255 Screening compound: (6Z)-6-({5-bromo-2-[2-(4-bromophenoxy)ethoxy]phenyl}methylidene)-2-ethyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3537-5255 Screening compound: (6Z)-6-({5-bromo-2-[2-(4-bromophenoxy)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 3537-5255
(6Z)-6-({5-bromo-2-[2-(4-bromophenoxy)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

3537-5255

Molecular Formula

C22H18Br2N4O3S (C22 H18 Br2 N4 O3 S)

Compound Name

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

IUPAC name

(6Z)-6-({5-bromo-2-[2-(4-bromophenoxy)ethoxy]phenyl}methylidene)-2-ethyl-5-imino-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCC(SC1=NC(/C2=C\c(cc(cc3)Br)c3OCCOc(cc3)ccc3Br)=O)=NN1C2=N

InChI

InChI=1S/C22H18Br2N4O3S/c1-2-19-27-28-20(25)17(21(29)26-22(28)32-19)12-13-11-15(24)5-8-18(13)31-10-9-30-16-6-3-14(23)4-7-16/h3-8,11-12,25H,2,9-10H2,1H3

InChI Key

VIQFBYFCUINNQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.537

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-5.40

Polar Surface Area

69.573

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 3537-5255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3537-5255?
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What is the minimum amount of 3537-5255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3537-5255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3537-5255
  • 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 3537-5255 available by request