4277-1166 Screening compound: (6Z)-6-({3-[2-(4-bromophenoxy)ethoxy]phenyl}methylidene)-5-imino-2-(2-methylpropyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4277-1166 Screening compound: (6Z)-6-({3-[2-(4-bromophenoxy)ethoxy]phenyl}methylidene)-5-imino-2-(2-methylpropyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4277-1166 Screening compound: (6Z)-6-({3-[2-(4-bromophenoxy)ethoxy]phenyl}methylidene)-5-imino-2-(2-methylpropyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4277-1166
(6Z)-6-({3-[2-(4-bromophenoxy)ethoxy]phenyl}methylidene)-5-imino-2-(2-methylpropyl)-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

4277-1166

Molecular Formula

C24H23BrN4O3S (C24 H23 BrN4 O3 S)

Compound Name

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

IUPAC name

(6Z)-6-({3-[2-(4-bromophenoxy)ethoxy]phenyl}methylidene)-5-imino-2-(2-methylpropyl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CC(C)CC(SC1=NC(/C2=C\c3cccc(OCCOc(cc4)ccc4Br)c3)=O)=NN1C2=N

InChI

InChI=1S/C24H23BrN4O3S/c1-15(2)12-21-28-29-22(26)20(23(30)27-24(29)33-21)14-16-4-3-5-19(13-16)32-11-10-31-18-8-6-17(25)7-9-18/h3-9,13-15,26H,10-12H2,1-2H3

InChI Key

QGQNZXAASTYYMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.435

Distribution Coefficient, logD

3.960

Water Solubility, LogSw

-5.42

Polar Surface Area

69.486

Acid Dissociation Constant (pKa)

24.30

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4277-1166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4277-1166?
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What is the minimum amount of 4277-1166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4277-1166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4277-1166
  • 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 4277-1166 available by request