P035-0868 Screening compound: 3-methyl-N-{6-[4-(thiomorpholine-4-carbonyl)-1H-imidazol-1-yl]pyridin-3-yl}butanamide

P035-0868 Screening compound: 3-methyl-N-{6-[4-(thiomorpholine-4-carbonyl)-1H-imidazol-1-yl]pyridin-3-yl}butanamide
P035-0868 Screening compound: 3-methyl-N-{6-[4-(thiomorpholine-4-carbonyl)-1H-imidazol-1-yl]pyridin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P035-0868
3-methyl-N-{6-[4-(thiomorpholine-4-carbonyl)-1H-imidazol-1-yl]pyridin-3-yl}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

P035-0868

Molecular Formula

C18H23N5O2S (C18 H23 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CC(Nc(cc1)cnc1-n1cnc(C(N2CCSCC2)=O)c1)=O

InChI

InChI=1S/C18H23N5O2S/c1-13(2)9-17(24)21-14-3-4-16(19-10-14)23-11-15(20-12-23)18(25)22-5-7-26-8-6-22/h3-4,10-13H,5-9H2,1-2H3,(H,21,24)

InChI Key

KPMXVGWHSRUUEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.420

Distribution Coefficient, logD

2.419

Water Solubility, LogSw

-2.76

Polar Surface Area

60.875

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

P035-0868 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with P035-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P035-0868?
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What is the minimum amount of P035-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P035-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P035-0868
  • 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 P035-0868 available by request