5739-1104 Screening compound: 1-(4-ethylbenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea

5739-1104 Screening compound: 1-(4-ethylbenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea
5739-1104 Screening compound: 1-(4-ethylbenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5739-1104
1-(4-ethylbenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-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

5739-1104

Molecular Formula

C17H16N4O2S (C17 H16 N4 O2 S)

Compound Name

1-(4-ethylbenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea

IUPAC name

1-(4-ethylbenzoyl)-3-(2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)thiourea

SMILES

CCc(cc1)ccc1C(NC(Nc(cc1)cc(N2)c1NC2=O)=S)=O

InChI

InChI=1S/C17H16N4O2S/c1-2-10-3-5-11(6-4-10)15(22)21-17(24)18-12-7-8-13-14(9-12)20-16(23)19-13/h3-9H,2H2,1H3,(H2,19,20,23)(H2,18,21,22,24)

InChI Key

PJYUZFDIEBIFDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03723926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.492

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-3.70

Polar Surface Area

68.967

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 5739-1104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5739-1104?
Check Price and Availability of 5739-1104, 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 5739-1104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5739-1104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5739-1104
  • 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 5739-1104 available by request