H030-0001 Screening compound: 4-{3-[3-cyano-4-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl}-2-fluoro-N-methylbenzamide

H030-0001 Screening compound: 4-{3-[3-cyano-4-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl}-2-fluoro-N-methylbenzamide
H030-0001 Screening compound: 4-{3-[3-cyano-4-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl}-2-fluoro-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H030-0001
4-{3-[3-cyano-4-(trifluoromethyl)phenyl]-5,5-dimethyl-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

H030-0001

Molecular Formula

C21H16F4N4O2S (C21 H16 F4 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C(N(C1=S)c2cc(C#N)c(C(F)(F)F)cc2)=O)N1c(cc1)cc(F)c1C(NC)=O

InChI

InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-7-15(21(23,24)25)11(8-12)10-26)19(32)29(20)13-4-6-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)

InChI Key

BWQIAHIDLBLTGG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.641

Distribution Coefficient, logD

2.641

Water Solubility, LogSw

-3.23

Polar Surface Area

59.272

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

References: we are preparing a list of scientific research reports with H030-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H030-0001?
Check Price and Availability of H030-0001, 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 H030-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H030-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H030-0001
  • 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 H030-0001 available by request