P035-0840 Screening compound: 3-methyl-N-(6-{4-[(3-methylpiperidino)carbonyl]-1H-imidazol-1-yl}-3-pyridyl)butanamide

P035-0840 Screening compound: 3-methyl-N-(6-{4-[(3-methylpiperidino)carbonyl]-1H-imidazol-1-yl}-3-pyridyl)butanamide
P035-0840 Screening compound: 3-methyl-N-(6-{4-[(3-methylpiperidino)carbonyl]-1H-imidazol-1-yl}-3-pyridyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P035-0840
3-methyl-N-(6-{4-[(3-methylpiperidino)carbonyl]-1H-imidazol-1-yl}-3-pyridyl)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

P035-0840

Molecular Formula

C20H27N5O2 (C20 H27 N5 O2)

Compound Name

3-methyl-N-(6-{4-[(3-methylpiperidino)carbonyl]-1H-imidazol-1-yl}-3-pyridyl)butanamide

IUPAC name

3-methyl-N-{6-[4-(3-methylpiperidine-1-carbonyl)-1H-imidazol-1-yl]pyridin-3-yl}butanamide

SMILES

CC(C)CC(Nc(cc1)cnc1-n1cnc(C(N2CC(C)CCC2)=O)c1)=O

InChI

InChI=1S/C20H27N5O2/c1-14(2)9-19(26)23-16-6-7-18(21-10-16)25-12-17(22-13-25)20(27)24-8-4-5-15(3)11-24/h6-7,10,12-15H,4-5,8-9,11H2,1-3H3,(H,23,26)/t15-/m0/s1

InChI Key

UCQXKOGBHUYWND-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD22595365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.47

Polar Surface Area

60.809

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

P035-0840 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P035-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P035-0840?
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What is the minimum amount of P035-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P035-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P035-0840
  • 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 P035-0840 available by request