4809-0167 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(2-methylbenzoyl)thiourea

4809-0167 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(2-methylbenzoyl)thiourea
4809-0167 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(2-methylbenzoyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4809-0167
3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(2-methylbenzoyl)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

4809-0167

Molecular Formula

C23H19N3O3S (C23 H19 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1C(NC(Nc(cc(cc1)-c2nc(cccc3)c3o2)c1OC)=S)=O

InChI

InChI=1S/C23H19N3O3S/c1-14-7-3-4-8-16(14)21(27)26-23(30)25-18-13-15(11-12-19(18)28-2)22-24-17-9-5-6-10-20(17)29-22/h3-13H,1-2H3,(H2,25,26,27,30)

InChI Key

BZILPYIOYRWHDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02734659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

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

5.201

Distribution Coefficient, logD

5.201

Water Solubility, LogSw

-5.01

Polar Surface Area

56.983

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 4809-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4809-0167?
Check Price and Availability of 4809-0167, 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 4809-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4809-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4809-0167
  • 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 4809-0167 available by request