4272-0168 Screening compound: (6Z)-2-butyl-5-imino-6-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4272-0168 Screening compound: (6Z)-2-butyl-5-imino-6-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4272-0168 Screening compound: (6Z)-2-butyl-5-imino-6-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4272-0168
(6Z)-2-butyl-5-imino-6-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-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

4272-0168

Molecular Formula

C27H27N5O3S (C27 H27 N5 O3 S)

Compound Name

(6Z)-2-butyl-5-imino-6-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-2-butyl-5-imino-6-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCCCC(SC1=NC(/C2=C\c3cn(CCOc(cccc4)c4OC)c4c3cccc4)=O)=NN1C2=N

InChI

InChI=1S/C27H27N5O3S/c1-3-4-13-24-30-32-25(28)20(26(33)29-27(32)36-24)16-18-17-31(21-10-6-5-9-19(18)21)14-15-35-23-12-8-7-11-22(23)34-2/h5-12,16-17,28H,3-4,13-15H2,1-2H3

InChI Key

QQSQPVYHPZMAGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09959917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.692

Distribution Coefficient, logD

3.217

Water Solubility, LogSw

-4.36

Polar Surface Area

71.768

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 4272-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4272-0168?
Check Price and Availability of 4272-0168, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4272-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4272-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4272-0168
  • 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 4272-0168 available by request