4799-3359 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-chlorobenzoyl)thiourea

4799-3359 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-chlorobenzoyl)thiourea
4799-3359 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-chlorobenzoyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4799-3359
3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-chlorobenzoyl)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

4799-3359

Molecular Formula

C22H16ClN3O3S (C22 H16 ClN3 O3 S)

Compound Name

3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-chlorobenzoyl)thiourea

IUPAC name

3-[5-(13-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-chlorobenzoyl)thiourea

SMILES

COc(ccc(-c1nc(cccc2)c2o1)c1)c1NC(NC(c1cccc(Cl)c1)=O)=S

InChI

InChI=1S/C22H16ClN3O3S/c1-28-18-10-9-14(21-24-16-7-2-3-8-19(16)29-21)12-17(18)25-22(30)26-20(27)13-5-4-6-15(23)11-13/h2-12H,1H3,(H2,25,26,27,30)

InChI Key

RYIPVRKZPGJRNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03031972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.645

Distribution Coefficient, logD

5.644

Water Solubility, LogSw

-5.92

Polar Surface Area

56.983

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

4799-3359 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4799-3359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4799-3359?
Check Price and Availability of 4799-3359, 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 4799-3359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4799-3359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4799-3359
  • 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 4799-3359 available by request