0488-0149 Screening compound: (1-acetyl-3-oxo-2,3-dihydro-1H-indol-2-yl)thiourea

0488-0149 Screening compound: (1-acetyl-3-oxo-2,3-dihydro-1H-indol-2-yl)thiourea
0488-0149 Screening compound: (1-acetyl-3-oxo-2,3-dihydro-1H-indol-2-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0488-0149
(1-acetyl-3-oxo-2,3-dihydro-1H-indol-2-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

0488-0149

Molecular Formula

C11H11N3O2S (C11 H11 N3 O2 S)

Compound Name

(1-acetyl-3-oxo-2,3-dihydro-1H-indol-2-yl)thiourea

IUPAC name

(1-acetyl-3-oxo-23-dihydro-1H-indol-2-yl)thiourea

SMILES

CC(N(C1NC(N)=S)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C11H11N3O2S/c1-6(15)14-8-5-3-2-4-7(8)9(16)10(14)13-11(12)17/h2-5,10H,1H3,(H3,12,13,17)/t10-/m0/s1

InChI Key

BAYGZCXMYVTCSA-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00440199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.108

Distribution Coefficient, logD

0.108

Water Solubility, LogSw

-2.23

Polar Surface Area

58.359

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

0488-0149 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0488-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0488-0149?
Check Price and Availability of 0488-0149, 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 0488-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0488-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0488-0149
  • 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 0488-0149 available by request