8010-5056 Screening compound: 2-(difluoromethyl)-4-isobutyl-5-(methoxycarbonyl)-6-(trifluoromethyl)nicotinic acid

8010-5056 Screening compound: 2-(difluoromethyl)-4-isobutyl-5-(methoxycarbonyl)-6-(trifluoromethyl)nicotinic acid
8010-5056 Screening compound: 2-(difluoromethyl)-4-isobutyl-5-(methoxycarbonyl)-6-(trifluoromethyl)nicotinic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5056
2-(difluoromethyl)-4-isobutyl-5-(methoxycarbonyl)-6-(trifluoromethyl)nicotinic acid

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

8010-5056

Molecular Formula

C14H14F5NO4 (C14 H14 F5 NO4)

Compound Name

2-(difluoromethyl)-4-isobutyl-5-(methoxycarbonyl)-6-(trifluoromethyl)nicotinic acid

IUPAC name

2-(difluoromethyl)-5-(methoxycarbonyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

SMILES

CC(C)Cc1c(C(OC)=O)c(C(F)(F)F)nc(C(F)F)c1C(O)=O

InChI

InChI=1S/C14H14F5NO4/c1-5(2)4-6-7(12(21)22)9(11(15)16)20-10(14(17,18)19)8(6)13(23)24-3/h5,11H,4H2,1-3H3,(H,21,22)

InChI Key

PEUBABNCOZOOAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00980813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

0.491

Water Solubility, LogSw

-3.74

Polar Surface Area

59.977

Acid Dissociation Constant (pKa)

4.44

Base Dissociation Constant (pKb)

-5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8010-5056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5056?
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What is the minimum amount of 8010-5056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5056
  • 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 8010-5056 available by request