6243-0468 Screening compound: 2-{(Z)-1-[3-allyl-5-ethoxy-4-(2-propynyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

6243-0468 Screening compound: 2-{(Z)-1-[3-allyl-5-ethoxy-4-(2-propynyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
6243-0468 Screening compound: 2-{(Z)-1-[3-allyl-5-ethoxy-4-(2-propynyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6243-0468
2-{(Z)-1-[3-allyl-5-ethoxy-4-(2-propynyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-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

6243-0468

Molecular Formula

C24H20N2O3S (C24 H20 N2 O3 S)

Compound Name

2-{(Z)-1-[3-allyl-5-ethoxy-4-(2-propynyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

IUPAC name

(4Z)-4-{[3-ethoxy-5-(prop-2-en-1-yl)-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-one

SMILES

CCOc(cc(/C=C1\Sc2nc(cccc3)c3n2C1=O)cc1CC=C)c1OCC#C

InChI

InChI=1S/C24H20N2O3S/c1-4-9-17-13-16(14-20(28-6-3)22(17)29-12-5-2)15-21-23(27)26-19-11-8-7-10-18(19)25-24(26)30-21/h2,4,7-8,10-11,13-15H,1,6,9,12H2,3H3

InChI Key

ARVOPSHFEKSBES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03064712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.975

Distribution Coefficient, logD

4.975

Water Solubility, LogSw

-4.72

Polar Surface Area

39.254

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6243-0468 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6243-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6243-0468?
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What is the minimum amount of 6243-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6243-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6243-0468
  • 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 6243-0468 available by request