P035-0542 Screening compound: 1-[5-(2-methylpropanamido)pyridin-2-yl]-N-[(oxolan-2-yl)methyl]-1H-imidazole-4-carboxamide

P035-0542 Screening compound: 1-[5-(2-methylpropanamido)pyridin-2-yl]-N-[(oxolan-2-yl)methyl]-1H-imidazole-4-carboxamide
P035-0542 Screening compound: 1-[5-(2-methylpropanamido)pyridin-2-yl]-N-[(oxolan-2-yl)methyl]-1H-imidazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P035-0542
1-[5-(2-methylpropanamido)pyridin-2-yl]-N-[(oxolan-2-yl)methyl]-1H-imidazole-4-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

P035-0542

Molecular Formula

C18H23N5O3 (C18 H23 N5 O3)

Compound Name

1-[5-(2-methylpropanamido)pyridin-2-yl]-N-[(oxolan-2-yl)methyl]-1H-imidazole-4-carboxamide

IUPAC name

1-[5-(2-methylpropanamido)pyridin-2-yl]-N-[(oxolan-2-yl)methyl]-1H-imidazole-4-carboxamide

SMILES

CC(C)C(Nc(cc1)cnc1-n1cnc(C(NCC2OCCC2)=O)c1)=O

InChI

InChI=1S/C18H23N5O3/c1-12(2)17(24)22-13-5-6-16(19-8-13)23-10-15(21-11-23)18(25)20-9-14-4-3-7-26-14/h5-6,8,10-12,14H,3-4,7,9H2,1-2H3,(H,20,25)(H,22,24)/t14-/m1/s1

InChI Key

WRITZBVLHOUVPY-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27559611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.572

Distribution Coefficient, logD

1.571

Water Solubility, LogSw

-2.09

Polar Surface Area

77.508

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

P035-0542 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P035-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P035-0542?
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What is the minimum amount of P035-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P035-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P035-0542
  • 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 P035-0542 available by request