3966-3014 Screening compound: [2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]thiourea

3966-3014 Screening compound: [2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]thiourea
3966-3014 Screening compound: [2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-3014
[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]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

3966-3014

Molecular Formula

C12H11N3O3S (C12 H11 N3 O3 S)

Compound Name

[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]thiourea

IUPAC name

[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanoyl]thiourea

SMILES

CC(C(NC(N)=S)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C12H11N3O3S/c1-6(9(16)14-12(13)19)15-10(17)7-4-2-3-5-8(7)11(15)18/h2-6H,1H3,(H3,13,14,16,19)/t6-/m0/s1

InChI Key

LMSIGISLIBASBC-LURJTMIESA-N

MDL Number (MFCD)

MFCD02236810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.441

Distribution Coefficient, logD

0.441

Water Solubility, LogSw

-2.22

Polar Surface Area

72.866

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3966-3014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-3014?
Check Price and Availability of 3966-3014, 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 3966-3014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-3014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-3014
  • 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 3966-3014 available by request