4059-2042 Screening compound: 1-(1-benzofuran-2-carbonyl)-3-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]thiourea

4059-2042 Screening compound: 1-(1-benzofuran-2-carbonyl)-3-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]thiourea
4059-2042 Screening compound: 1-(1-benzofuran-2-carbonyl)-3-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4059-2042
1-(1-benzofuran-2-carbonyl)-3-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]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

4059-2042

Molecular Formula

C24H16ClN3O4S (C24 H16 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(-c1nc(cc(cc2)NC(NC(c3cc(cccc4)c4o3)=O)=S)c2o1)c1)c1Cl

InChI

InChI=1S/C24H16ClN3O4S/c1-30-19-8-6-14(10-16(19)25)23-27-17-12-15(7-9-20(17)32-23)26-24(33)28-22(29)21-11-13-4-2-3-5-18(13)31-21/h2-12H,1H3,(H2,26,28,29,33)

InChI Key

YVKGBZFKRWSWND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03137075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.93

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

6.124

Distribution Coefficient, logD

6.124

Water Solubility, LogSw

-6.37

Polar Surface Area

65.973

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

4059-2042 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 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 4059-2042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4059-2042?
Check Price and Availability of 4059-2042, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4059-2042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4059-2042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4059-2042
  • 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 4059-2042 available by request