P035-0776 Screening compound: N-cycloheptyl-1-[5-(3-methylbutanamido)pyridin-2-yl]-1H-imidazole-4-carboxamide

P035-0776 Screening compound: N-cycloheptyl-1-[5-(3-methylbutanamido)pyridin-2-yl]-1H-imidazole-4-carboxamide
P035-0776 Screening compound: N-cycloheptyl-1-[5-(3-methylbutanamido)pyridin-2-yl]-1H-imidazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P035-0776
N-cycloheptyl-1-[5-(3-methylbutanamido)pyridin-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

P035-0776

Molecular Formula

C21H29N5O2 (C21 H29 N5 O2)

Compound Name

N-cycloheptyl-1-[5-(3-methylbutanamido)pyridin-2-yl]-1H-imidazole-4-carboxamide

IUPAC name

N-cycloheptyl-1-[5-(3-methylbutanamido)pyridin-2-yl]-1H-imidazole-4-carboxamide

SMILES

CC(C)CC(Nc(cc1)cnc1-n1cnc(C(NC2CCCCCC2)=O)c1)=O

InChI

InChI=1S/C21H29N5O2/c1-15(2)11-20(27)24-17-9-10-19(22-12-17)26-13-18(23-14-26)21(28)25-16-7-5-3-4-6-8-16/h9-10,12-16H,3-8,11H2,1-2H3,(H,24,27)(H,25,28)

InChI Key

YDJNLKDENZCDDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.263

Distribution Coefficient, logD

4.263

Water Solubility, LogSw

-4.01

Polar Surface Area

68.696

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

P035-0776 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P035-0776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P035-0776?
Check Price and Availability of P035-0776, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P035-0776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P035-0776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P035-0776
  • 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 P035-0776 available by request