H030-0008 Screening compound: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-2,4-dioxotetrahydro-1(2H)-pyrimidinyl]-2-fluoro-N-methylbenzamide

H030-0008 Screening compound: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-2,4-dioxotetrahydro-1(2H)-pyrimidinyl]-2-fluoro-N-methylbenzamide
H030-0008 Screening compound: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-2,4-dioxotetrahydro-1(2H)-pyrimidinyl]-2-fluoro-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H030-0008
4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-2,4-dioxotetrahydro-1(2H)-pyrimidinyl]-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

H030-0008

Molecular Formula

C20H14F4N4O3 (C20 H14 F4 N4 O3)

Compound Name

4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-2,4-dioxotetrahydro-1(2H)-pyrimidinyl]-2-fluoro-N-methylbenzamide

IUPAC name

4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-24-dioxo-13-diazinan-1-yl}-2-fluoro-N-methylbenzamide

SMILES

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

InChI

InChI=1S/C20H14F4N4O3/c1-26-18(30)14-5-4-12(9-16(14)21)27-7-6-17(29)28(19(27)31)13-3-2-11(10-25)15(8-13)20(22,23)24/h2-5,8-9H,6-7H2,1H3,(H,26,30)

InChI Key

GJCYNENVGXBQOG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.195

Distribution Coefficient, logD

2.195

Water Solubility, LogSw

-2.93

Polar Surface Area

73.895

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

H030-0008 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H030-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H030-0008?
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What is the minimum amount of H030-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H030-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H030-0008
  • 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 H030-0008 available by request