CM4179-1799 Screening compound: N-{2-[1-(cyclopropylmethyl)-7-oxoazepan-4-yl]ethyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide

CM4179-1799 Screening compound: N-{2-[1-(cyclopropylmethyl)-7-oxoazepan-4-yl]ethyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide
CM4179-1799 Screening compound: N-{2-[1-(cyclopropylmethyl)-7-oxoazepan-4-yl]ethyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4179-1799
N-{2-[1-(cyclopropylmethyl)-7-oxoazepan-4-yl]ethyl}-1,3-dimethyl-1H-pyrazole-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

CM4179-1799

Molecular Formula

C18H28N4O2 (C18 H28 N4 O2)

Compound Name

N-{2-[1-(cyclopropylmethyl)-7-oxoazepan-4-yl]ethyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide

IUPAC name

N-{2-[1-(cyclopropylmethyl)-7-oxoazepan-4-yl]ethyl}-13-dimethyl-1H-pyrazole-5-carboxamide

SMILES

Cc1nn(C)c(C(NCCC(CC2)CCN(CC3CC3)C2=O)=O)c1

InChI

InChI=1S/C18H28N4O2/c1-13-11-16(21(2)20-13)18(24)19-9-7-14-5-6-17(23)22(10-8-14)12-15-3-4-15/h11,14-15H,3-10,12H2,1-2H3,(H,19,24)/t14-/m0/s1

InChI Key

CDLIAIHKUJWDAZ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD30459947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.140

Distribution Coefficient, logD

1.140

Water Solubility, LogSw

-1.91

Polar Surface Area

55.566

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.22

CM4179-1799 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with CM4179-1799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4179-1799?
Check Price and Availability of CM4179-1799, 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 CM4179-1799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4179-1799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4179-1799
  • 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 CM4179-1799 available by request