H030-0023 Screening compound: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-bis(methoxymethyl)-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-N-methylbenzamide

H030-0023 Screening compound: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-bis(methoxymethyl)-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-N-methylbenzamide
H030-0023 Screening compound: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-bis(methoxymethyl)-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H030-0023
4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-bis(methoxymethyl)-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-N-methylbenzamide

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

H030-0023

Molecular Formula

C23H20F4N4O4S (C23 H20 F4 N4 O4 S)

Compound Name

4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-bis(methoxymethyl)-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-N-methylbenzamide

IUPAC name

4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-55-bis(methoxymethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluoro-N-methylbenzamide

SMILES

CNC(c(ccc(N(C(COC)(COC)C(N1c(cc2)cc(C(F)(F)F)c2C#N)=O)C1=S)c1)c1F)=O

InChI

InChI=1S/C23H20F4N4O4S/c1-29-19(32)16-7-6-15(9-18(16)24)31-21(36)30(20(33)22(31,11-34-2)12-35-3)14-5-4-13(10-28)17(8-14)23(25,26)27/h4-9H,11-12H2,1-3H3,(H,29,32)

InChI Key

FLLOPPTVZCLJSC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.311

Distribution Coefficient, logD

2.311

Water Solubility, LogSw

-2.99

Polar Surface Area

76.842

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

References: we are preparing a list of scientific research reports with H030-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H030-0023?
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What is the minimum amount of H030-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H030-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H030-0023
  • 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 H030-0023 available by request