4059-2296 Screening compound: 3-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-1-(3-methyl-1-benzofuran-2-carbonyl)thiourea

4059-2296 Screening compound: 3-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-1-(3-methyl-1-benzofuran-2-carbonyl)thiourea
4059-2296 Screening compound: 3-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-1-(3-methyl-1-benzofuran-2-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4059-2296
3-[2-(3-chloro-4-methoxyphenyl)-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

4059-2296

Molecular Formula

C25H18ClN3O4S (C25 H18 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(NC(Nc(cc2)cc3c2oc(-c(cc2)cc(Cl)c2OC)n3)=S)=O)oc2c1cccc2

InChI

InChI=1S/C25H18ClN3O4S/c1-13-16-5-3-4-6-19(16)32-22(13)23(30)29-25(34)27-15-8-10-21-18(12-15)28-24(33-21)14-7-9-20(31-2)17(26)11-14/h3-12H,1-2H3,(H2,27,29,30,34)

InChI Key

FKNDMDCCKMRVSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.371

Distribution Coefficient, logD

6.369

Water Solubility, LogSw

-6.32

Polar Surface Area

66.206

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

4059-2296 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4059-2296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4059-2296?
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What is the minimum amount of 4059-2296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4059-2296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4059-2296
  • 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 4059-2296 available by request