M535-1321 Screening compound: N-[3-(azepan-1-yl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide

M535-1321 Screening compound: N-[3-(azepan-1-yl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
M535-1321 Screening compound: N-[3-(azepan-1-yl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M535-1321
N-[3-(azepan-1-yl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide

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

M535-1321

Molecular Formula

C26H33N5O2 (C26 H33 N5 O2)

Compound Name

N-[3-(azepan-1-yl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide

IUPAC name

N-[3-(azepan-1-yl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide

SMILES

O=C(C1CC1)Nc(cc1)cc(N2CCCCCC2)c1C(N(CC1)CCN1c1ncccc1)=O

InChI

InChI=1S/C26H33N5O2/c32-25(20-8-9-20)28-21-10-11-22(23(19-21)29-13-5-1-2-6-14-29)26(33)31-17-15-30(16-18-31)24-7-3-4-12-27-24/h3-4,7,10-12,19-20H,1-2,5-6,8-9,13-18H2,(H,28,32)

InChI Key

PGJHDAMVEJBBDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.168

Distribution Coefficient, logD

4.158

Water Solubility, LogSw

-4.18

Polar Surface Area

55.755

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

M535-1321 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with M535-1321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M535-1321?
Check Price and Availability of M535-1321, 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 M535-1321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M535-1321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M535-1321
  • 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 M535-1321 available by request