5664-0285 Screening compound: 3-[2-(5,5-dimethyl-2-oxooxolan-3-yl)acetyl]-1-(4-ethoxyphenyl)thiourea

5664-0285 Screening compound: 3-[2-(5,5-dimethyl-2-oxooxolan-3-yl)acetyl]-1-(4-ethoxyphenyl)thiourea
5664-0285 Screening compound: 3-[2-(5,5-dimethyl-2-oxooxolan-3-yl)acetyl]-1-(4-ethoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5664-0285
3-[2-(5,5-dimethyl-2-oxooxolan-3-yl)acetyl]-1-(4-ethoxyphenyl)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

5664-0285

Molecular Formula

C17H22N2O4S (C17 H22 N2 O4 S)

Compound Name

3-[2-(5,5-dimethyl-2-oxooxolan-3-yl)acetyl]-1-(4-ethoxyphenyl)thiourea

IUPAC name

3-[2-(55-dimethyl-2-oxooxolan-3-yl)acetyl]-1-(4-ethoxyphenyl)thiourea

SMILES

CCOc(cc1)ccc1NC(NC(CC(CC(C)(C)O1)C1=O)=O)=S

InChI

InChI=1S/C17H22N2O4S/c1-4-22-13-7-5-12(6-8-13)18-16(24)19-14(20)9-11-10-17(2,3)23-15(11)21/h5-8,11H,4,9-10H2,1-3H3,(H2,18,19,20,24)/t11-/m0/s1

InChI Key

RPPDQUPRXXQYOO-NSHDSACASA-N

MDL Number (MFCD)

MFCD02949919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.653

Distribution Coefficient, logD

2.653

Water Solubility, LogSw

-3.11

Polar Surface Area

60.957

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with 5664-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5664-0285?
Check Price and Availability of 5664-0285, 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 5664-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5664-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5664-0285
  • 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 5664-0285 available by request