7591-0641 Screening compound: 3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide

7591-0641 Screening compound: 3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
7591-0641 Screening compound: 3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0641
3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide

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

7591-0641

Molecular Formula

C13H20F3N3O3 (C13 H20 F3 N3 O3)

Compound Name

3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide

IUPAC name

3-methyl-N-[1-(2-methylpropyl)-25-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide

SMILES

CC(C)CC(NC(C(F)(F)F)(C(N1CC(C)C)=O)NC1=O)=O

InChI

InChI=1S/C13H20F3N3O3/c1-7(2)5-9(20)17-12(13(14,15)16)10(21)19(6-8(3)4)11(22)18-12/h7-8H,5-6H2,1-4H3,(H,17,20)(H,18,22)/t12-/m1/s1

InChI Key

XRSYWQCTLJGWEQ-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14712829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.376

Distribution Coefficient, logD

0.559

Water Solubility, LogSw

-2.69

Polar Surface Area

66.127

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

-6.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.90

7591-0641 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7591-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0641?
Check Price and Availability of 7591-0641, 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 7591-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0641
  • 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 7591-0641 available by request