P035-0113 Screening compound: 1-(5-acetamidopyridin-2-yl)-N-(4-phenylbutan-2-yl)-1H-imidazole-4-carboxamide

P035-0113 Screening compound: 1-(5-acetamidopyridin-2-yl)-N-(4-phenylbutan-2-yl)-1H-imidazole-4-carboxamide
P035-0113 Screening compound: 1-(5-acetamidopyridin-2-yl)-N-(4-phenylbutan-2-yl)-1H-imidazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P035-0113
1-(5-acetamidopyridin-2-yl)-N-(4-phenylbutan-2-yl)-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

P035-0113

Molecular Formula

C21H23N5O2 (C21 H23 N5 O2)

Compound Name

1-(5-acetamidopyridin-2-yl)-N-(4-phenylbutan-2-yl)-1H-imidazole-4-carboxamide

IUPAC name

1-(5-acetamidopyridin-2-yl)-N-(4-phenylbutan-2-yl)-1H-imidazole-4-carboxamide

SMILES

CC(CCc1ccccc1)NC(c(nc1)cn1-c(cc1)ncc1NC(C)=O)=O

InChI

InChI=1S/C21H23N5O2/c1-15(8-9-17-6-4-3-5-7-17)24-21(28)19-13-26(14-23-19)20-11-10-18(12-22-20)25-16(2)27/h3-7,10-15H,8-9H2,1-2H3,(H,24,28)(H,25,27)/t15-/m0/s1

InChI Key

WQOVBIDWWAEEAM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27559492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.765

Distribution Coefficient, logD

2.764

Water Solubility, LogSw

-3.14

Polar Surface Area

68.194

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

P035-0113 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with P035-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P035-0113?
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What is the minimum amount of P035-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P035-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P035-0113
  • 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 P035-0113 available by request