M058-0712 Screening compound: 1-METHYL-5-(2-METHYLPROPYL)-4-OXO-N-[2-(TRIFLUOROMETHYL)PHENYL]-1H,4H,5H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXAMIDE

M058-0712 Screening compound: 1-METHYL-5-(2-METHYLPROPYL)-4-OXO-N-[2-(TRIFLUOROMETHYL)PHENYL]-1H,4H,5H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXAMIDE
M058-0712 Screening compound: 1-METHYL-5-(2-METHYLPROPYL)-4-OXO-N-[2-(TRIFLUOROMETHYL)PHENYL]-1H,4H,5H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound M058-0712
1-METHYL-5-(2-METHYLPROPYL)-4-OXO-N-[2-(TRIFLUOROMETHYL)PHENYL]-1H,4H,5H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXAMIDE

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

M058-0712

Molecular Formula

C20H20F3N3O2 (C20 H20 F3 N3 O2)

Compound Name

1-METHYL-5-(2-METHYLPROPYL)-4-OXO-N-[2-(TRIFLUOROMETHYL)PHENYL]-1H,4H,5H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(C)CN(C=Cc1c2cc(C(Nc3c(C(F)(F)F)cccc3)=O)n1C)C2=O

InChI

InChI=1S/C20H20F3N3O2/c1-12(2)11-26-9-8-16-13(19(26)28)10-17(25(16)3)18(27)24-15-7-5-4-6-14(15)20(21,22)23/h4-10,12H,11H2,1-3H3,(H,24,27)

InChI Key

YDAKQUKSCWTISV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.945

Distribution Coefficient, logD

3.944

Water Solubility, LogSw

-4.10

Polar Surface Area

40.363

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with M058-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M058-0712?
Check Price and Availability of M058-0712, 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 M058-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M058-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M058-0712
  • 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 M058-0712 available by request