L712-0029 Screening compound: N-(3-bromophenyl)-4-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}piperazine-1-carboxamide

L712-0029 Screening compound: N-(3-bromophenyl)-4-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}piperazine-1-carboxamide
L712-0029 Screening compound: N-(3-bromophenyl)-4-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L712-0029
N-(3-bromophenyl)-4-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}piperazine-1-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

L712-0029

Molecular Formula

C20H20BrF3N6O (C20 H20 BrF3 N6 O)

Compound Name

N-(3-bromophenyl)-4-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}piperazine-1-carboxamide

IUPAC name

N-(3-bromophenyl)-4-{2-[2-(trifluoromethyl)-3H-imidazo[45-b]pyridin-3-yl]ethyl}piperazine-1-carboxamide

SMILES

O=C(Nc1cccc(Br)c1)N1CCN(CCn2c3ncccc3nc2C(F)(F)F)CC1

InChI

InChI=1S/C20H20BrF3N6O/c21-14-3-1-4-15(13-14)26-19(31)29-10-7-28(8-11-29)9-12-30-17-16(5-2-6-25-17)27-18(30)20(22,23)24/h1-6,13H,7-12H2,(H,26,31)

InChI Key

MJQRDLRJOSYIQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27472909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.532

Distribution Coefficient, logD

3.531

Water Solubility, LogSw

-3.65

Polar Surface Area

49.312

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L712-0029 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L712-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L712-0029?
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What is the minimum amount of L712-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L712-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L712-0029
  • 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 L712-0029 available by request