5596-0141 Screening compound: 3-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]-1-[3-(trifluoromethyl)phenyl]thiourea

5596-0141 Screening compound: 3-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]-1-[3-(trifluoromethyl)phenyl]thiourea
5596-0141 Screening compound: 3-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]-1-[3-(trifluoromethyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5596-0141
3-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]-1-[3-(trifluoromethyl)phenyl]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

5596-0141

Molecular Formula

C19H14F3N3O3S (C19 H14 F3 N3 O3 S)

Compound Name

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

IUPAC name

3-[3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanoyl]-1-[3-(trifluoromethyl)phenyl]thiourea

SMILES

O=C(CCN(C(c1c2cccc1)=O)C2=O)NC(Nc1cc(C(F)(F)F)ccc1)=S

InChI

InChI=1S/C19H14F3N3O3S/c20-19(21,22)11-4-3-5-12(10-11)23-18(29)24-15(26)8-9-25-16(27)13-6-1-2-7-14(13)17(25)28/h1-7,10H,8-9H2,(H2,23,24,26,29)

InChI Key

ZGCSOHOVKUFHGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01869472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.4

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

3.370

Distribution Coefficient, logD

3.361

Water Solubility, LogSw

-3.81

Polar Surface Area

62.529

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

5596-0141 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5596-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5596-0141?
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What is the minimum amount of 5596-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5596-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5596-0141
  • 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 5596-0141 available by request