2531-0005 Screening compound: 2-{(Z)-1-[4-(benzyloxy)-3-ethoxyphenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

2531-0005 Screening compound: 2-{(Z)-1-[4-(benzyloxy)-3-ethoxyphenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
2531-0005 Screening compound: 2-{(Z)-1-[4-(benzyloxy)-3-ethoxyphenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2531-0005
2-{(Z)-1-[4-(benzyloxy)-3-ethoxyphenyl]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

2531-0005

Molecular Formula

C25H20N2O3S (C25 H20 N2 O3 S)

Compound Name

2-{(Z)-1-[4-(benzyloxy)-3-ethoxyphenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

IUPAC name

(4Z)-4-{[4-(benzyloxy)-3-ethoxyphenyl]methylidene}-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-3-one

SMILES

CCOc(cc(/C=C1\Sc2nc(cccc3)c3n2C1=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C25H20N2O3S/c1-2-29-22-14-18(12-13-21(22)30-16-17-8-4-3-5-9-17)15-23-24(28)27-20-11-7-6-10-19(20)26-25(27)31-23/h3-15H,2,16H2,1H3

InChI Key

WYYUTOKTDUFUMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01590277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.858

Distribution Coefficient, logD

4.858

Water Solubility, LogSw

-4.88

Polar Surface Area

38.977

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 2531-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2531-0005?
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What is the minimum amount of 2531-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2531-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2531-0005
  • 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 2531-0005 available by request