5092-0811 Screening compound: (6Z)-6-({1-[3-(4-tert-butylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5092-0811 Screening compound: (6Z)-6-({1-[3-(4-tert-butylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
5092-0811 Screening compound: (6Z)-6-({1-[3-(4-tert-butylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5092-0811
(6Z)-6-({1-[3-(4-tert-butylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[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

5092-0811

Molecular Formula

C28H28N4O2S (C28 H28 N4 O2 S)

Compound Name

(6Z)-6-({1-[3-(4-tert-butylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({1-[3-(4-tert-butylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5-imino-5H6H7H-[13]thiazolo[32-a]pyrimidin-7-one

SMILES

CC(C)(C)c(cc1)ccc1OCCCn1c(cccc2)c2c(/C=C(/C(N(C=CS2)C2=N2)=N)\C2=O)c1

InChI

InChI=1S/C28H28N4O2S/c1-28(2,3)20-9-11-21(12-10-20)34-15-6-13-31-18-19(22-7-4-5-8-24(22)31)17-23-25(29)32-14-16-35-27(32)30-26(23)33/h4-5,7-12,14,16-18,29H,6,13,15H2,1-3H3

InChI Key

MHBZMNUKTYQYQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05977852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.136

Distribution Coefficient, logD

5.132

Water Solubility, LogSw

-4.99

Polar Surface Area

51.798

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 5092-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5092-0811?
Check Price and Availability of 5092-0811, 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 5092-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5092-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5092-0811
  • 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 5092-0811 available by request