D181-0234 Screening compound: 3-[(4-methylphenoxy)methyl]-N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzofuran-2-carboxamide

D181-0234 Screening compound: 3-[(4-methylphenoxy)methyl]-N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzofuran-2-carboxamide
D181-0234 Screening compound: 3-[(4-methylphenoxy)methyl]-N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D181-0234
3-[(4-methylphenoxy)methyl]-N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzofuran-2-carboxamide

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

D181-0234

Molecular Formula

C28H24N2O3S (C28 H24 N2 O3 S)

Compound Name

3-[(4-methylphenoxy)methyl]-N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzofuran-2-carboxamide

IUPAC name

3-[(4-methylphenoxy)methyl]-N-{5-[(3-methylphenyl)methyl]-13-thiazol-2-yl}-1-benzofuran-2-carboxamide

SMILES

Cc(cc1)ccc1OCc1c(C(Nc2ncc(Cc3cc(C)ccc3)s2)=O)oc2c1cccc2

InChI

InChI=1S/C28H24N2O3S/c1-18-10-12-21(13-11-18)32-17-24-23-8-3-4-9-25(23)33-26(24)27(31)30-28-29-16-22(34-28)15-20-7-5-6-19(2)14-20/h3-14,16H,15,17H2,1-2H3,(H,29,30,31)

InChI Key

QSZYZOZCHHWBDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07802160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.046

Distribution Coefficient, logD

7.893

Water Solubility, LogSw

-5.73

Polar Surface Area

49.380

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with D181-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D181-0234?
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What is the minimum amount of D181-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D181-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D181-0234
  • 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 D181-0234 available by request