D181-0218 Screening compound: N-{5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[(2-methylphenoxy)methyl]-1-benzofuran-2-carboxamide

D181-0218 Screening compound: N-{5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[(2-methylphenoxy)methyl]-1-benzofuran-2-carboxamide
D181-0218 Screening compound: N-{5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[(2-methylphenoxy)methyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D181-0218
N-{5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[(2-methylphenoxy)methyl]-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

D181-0218

Molecular Formula

C27H21ClN2O3S (C27 H21 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1OCc1c(C(Nc2ncc(Cc(cccc3)c3Cl)s2)=O)oc2c1cccc2

InChI

InChI=1S/C27H21ClN2O3S/c1-17-8-2-6-12-23(17)32-16-21-20-10-4-7-13-24(20)33-25(21)26(31)30-27-29-15-19(34-27)14-18-9-3-5-11-22(18)28/h2-13,15H,14,16H2,1H3,(H,29,30,31)

InChI Key

OQEGRLISZPYXQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07802153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.99

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

8.155

Distribution Coefficient, logD

8.001

Water Solubility, LogSw

-6.47

Polar Surface Area

49.466

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D181-0218 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D181-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D181-0218?
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What is the minimum amount of D181-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D181-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D181-0218
  • 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 D181-0218 available by request