4384-0422 Screening compound: (6Z)-6-({4-[2-(2,6-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-5-imino-3-phenyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

4384-0422 Screening compound: (6Z)-6-({4-[2-(2,6-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-5-imino-3-phenyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
4384-0422 Screening compound: (6Z)-6-({4-[2-(2,6-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-5-imino-3-phenyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4384-0422
(6Z)-6-({4-[2-(2,6-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-5-imino-3-phenyl-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

4384-0422

Molecular Formula

C31H29N3O4S (C31 H29 N3 O4 S)

Compound Name

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

IUPAC name

(6Z)-6-({4-[2-(26-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-5-imino-3-phenyl-5H6H7H-[13]thiazolo[32-a]pyrimidin-7-one

SMILES

CCOc(cc(/C=C(/C(N(C(c1ccccc1)=CS1)C1=N1)=N)\C1=O)cc1)c1OCCOc1c(C)cccc1C

InChI

InChI=1S/C31H29N3O4S/c1-4-36-27-18-22(13-14-26(27)37-15-16-38-28-20(2)9-8-10-21(28)3)17-24-29(32)34-25(23-11-6-5-7-12-23)19-39-31(34)33-30(24)35/h5-14,17-19,32H,4,15-16H2,1-3H3

InChI Key

NBFIDADGPNQEPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02994113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.227

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.08

Polar Surface Area

64.507

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.40

References: we are preparing a list of scientific research reports with 4384-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4384-0422?
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What is the minimum amount of 4384-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4384-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4384-0422
  • 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 4384-0422 available by request