4059-2306 Screening compound: 3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-1-(3-methyl-1-benzofuran-2-carbonyl)thiourea

4059-2306 Screening compound: 3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-1-(3-methyl-1-benzofuran-2-carbonyl)thiourea
4059-2306 Screening compound: 3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-1-(3-methyl-1-benzofuran-2-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4059-2306
3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-1-(3-methyl-1-benzofuran-2-carbonyl)thiourea

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

4059-2306

Molecular Formula

C26H21N3O4S (C26 H21 N3 O4 S)

Compound Name

3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-1-(3-methyl-1-benzofuran-2-carbonyl)thiourea

IUPAC name

3-[2-(4-ethoxyphenyl)-13-benzoxazol-5-yl]-1-(3-methyl-1-benzofuran-2-carbonyl)thiourea

SMILES

CCOc(cc1)ccc1-c1nc(cc(cc2)NC(NC(c3c(C)c(cccc4)c4o3)=O)=S)c2o1

InChI

InChI=1S/C26H21N3O4S/c1-3-31-18-11-8-16(9-12-18)25-28-20-14-17(10-13-22(20)33-25)27-26(34)29-24(30)23-15(2)19-6-4-5-7-21(19)32-23/h4-14H,3H2,1-2H3,(H2,27,29,30,34)

InChI Key

NXNNGHMWKQHDDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.500

Distribution Coefficient, logD

6.498

Water Solubility, LogSw

-5.80

Polar Surface Area

65.699

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with 4059-2306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4059-2306?
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What is the minimum amount of 4059-2306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4059-2306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4059-2306
  • 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 4059-2306 available by request