P497-0417 Screening compound: 2-[(cycloheptylcarbamoyl)methyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

P497-0417 Screening compound: 2-[(cycloheptylcarbamoyl)methyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
P497-0417 Screening compound: 2-[(cycloheptylcarbamoyl)methyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P497-0417
2-[(cycloheptylcarbamoyl)methyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-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

P497-0417

Molecular Formula

C18H29N3O2S (C18 H29 N3 O2 S)

Compound Name

2-[(cycloheptylcarbamoyl)methyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

IUPAC name

2-[(cycloheptylcarbamoyl)methyl]-4-methyl-N-(2-methylpropyl)-13-thiazole-5-carboxamide

SMILES

CC(C)CNC(c1c(C)nc(CC(NC2CCCCCC2)=O)s1)=O

InChI

InChI=1S/C18H29N3O2S/c1-12(2)11-19-18(23)17-13(3)20-16(24-17)10-15(22)21-14-8-6-4-5-7-9-14/h12,14H,4-11H2,1-3H3,(H,19,23)(H,21,22)

InChI Key

ATGJUPUCMZJWBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27576361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.480

Distribution Coefficient, logD

3.480

Water Solubility, LogSw

-3.79

Polar Surface Area

60.257

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.20

P497-0417 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P497-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P497-0417?
Check Price and Availability of P497-0417, 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 P497-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P497-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P497-0417
  • 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 P497-0417 available by request