F114-0269 Screening compound: 1,4-dimethyl 2-[(4-{2-methyl-3H-imidazo[4,5-b]pyridin-3-yl}piperidine-1-carbonyl)amino]benzene-1,4-dicarboxylate

F114-0269 Screening compound: 1,4-dimethyl 2-[(4-{2-methyl-3H-imidazo[4,5-b]pyridin-3-yl}piperidine-1-carbonyl)amino]benzene-1,4-dicarboxylate
F114-0269 Screening compound: 1,4-dimethyl 2-[(4-{2-methyl-3H-imidazo[4,5-b]pyridin-3-yl}piperidine-1-carbonyl)amino]benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F114-0269
1,4-dimethyl 2-[(4-{2-methyl-3H-imidazo[4,5-b]pyridin-3-yl}piperidine-1-carbonyl)amino]benzene-1,4-dicarboxylate

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

F114-0269

Molecular Formula

C23H25N5O5 (C23 H25 N5 O5)

Compound Name

1,4-dimethyl 2-[(4-{2-methyl-3H-imidazo[4,5-b]pyridin-3-yl}piperidine-1-carbonyl)amino]benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-[(4-{2-methyl-3H-imidazo[45-b]pyridin-3-yl}piperidine-1-carbonyl)amino]benzene-14-dicarboxylate

SMILES

Cc1nc2cccnc2n1C(CC1)CCN1C(Nc(cc(cc1)C(OC)=O)c1C(OC)=O)=O

InChI

InChI=1S/C23H25N5O5/c1-14-25-18-5-4-10-24-20(18)28(14)16-8-11-27(12-9-16)23(31)26-19-13-15(21(29)32-2)6-7-17(19)22(30)33-3/h4-7,10,13,16H,8-9,11-12H2,1-3H3,(H,26,31)

InChI Key

WBJSSDAIAQKLES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14941667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

2.814

Water Solubility, LogSw

-3.22

Polar Surface Area

88.354

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

F114-0269 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SH2 Library (10483 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F114-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F114-0269?
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What is the minimum amount of F114-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F114-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F114-0269
  • 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 F114-0269 available by request