4012-1862 Screening compound: 1-(3-fluorobenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea

4012-1862 Screening compound: 1-(3-fluorobenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea
4012-1862 Screening compound: 1-(3-fluorobenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4012-1862
1-(3-fluorobenzoyl)-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

4012-1862

Molecular Formula

C15H11FN4O2S (C15 H11 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(F)ccc1)NC(Nc(cc1)cc(N2)c1NC2=O)=S

InChI

InChI=1S/C15H11FN4O2S/c16-9-3-1-2-8(6-9)13(21)20-15(23)17-10-4-5-11-12(7-10)19-14(22)18-11/h1-7H,(H2,18,19,22)(H2,17,20,21,23)

InChI Key

RVNOZTVDOWCSNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03549035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.684

Distribution Coefficient, logD

2.676

Water Solubility, LogSw

-3.24

Polar Surface Area

68.967

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4012-1862 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4012-1862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4012-1862?
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What is the minimum amount of 4012-1862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4012-1862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4012-1862
  • 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 4012-1862 available by request