3002-0935 Screening compound: 2-{(Z)-1-[4-(hexyloxy)-3-methoxyphenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

3002-0935 Screening compound: 2-{(Z)-1-[4-(hexyloxy)-3-methoxyphenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
3002-0935 Screening compound: 2-{(Z)-1-[4-(hexyloxy)-3-methoxyphenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3002-0935
2-{(Z)-1-[4-(hexyloxy)-3-methoxyphenyl]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

3002-0935

Molecular Formula

C23H24N2O3S (C23 H24 N2 O3 S)

Compound Name

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

IUPAC name

(4Z)-4-{[4-(hexyloxy)-3-methoxyphenyl]methylidene}-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-one

SMILES

CCCCCCOc(ccc(/C=C1\Sc2nc(cccc3)c3n2C1=O)c1)c1OC

InChI

InChI=1S/C23H24N2O3S/c1-3-4-5-8-13-28-19-12-11-16(14-20(19)27-2)15-21-22(26)25-18-10-7-6-9-17(18)24-23(25)29-21/h6-7,9-12,14-15H,3-5,8,13H2,1-2H3

InChI Key

TUYKXDPOCJJQJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02340428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.52

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

5.713

Distribution Coefficient, logD

5.713

Water Solubility, LogSw

-5.29

Polar Surface Area

39.587

Acid Dissociation Constant (pKa)

27.59

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 3002-0935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3002-0935?
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What is the minimum amount of 3002-0935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3002-0935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3002-0935
  • 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 3002-0935 available by request