4671-0507 Screening compound: 1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-propanoylthiourea

4671-0507 Screening compound: 1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-propanoylthiourea
4671-0507 Screening compound: 1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-propanoylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4671-0507
1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-propanoylthiourea

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

4671-0507

Molecular Formula

C18H17N3O3S (C18 H17 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(NC(Nc(cc(cc1)-c2nc(cccc3)c3o2)c1OC)=S)=O

InChI

InChI=1S/C18H17N3O3S/c1-3-16(22)21-18(25)20-13-10-11(8-9-14(13)23-2)17-19-12-6-4-5-7-15(12)24-17/h4-10H,3H2,1-2H3,(H2,20,21,22,25)

InChI Key

DOYXDRRWUGWHDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03030934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

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

3.539

Distribution Coefficient, logD

3.539

Water Solubility, LogSw

-3.79

Polar Surface Area

57.041

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 4671-0507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4671-0507?
Check Price and Availability of 4671-0507, 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 4671-0507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4671-0507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4671-0507
  • 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 4671-0507 available by request