M668-1104 Screening compound: N1-{3-[(phenylcarbamoyl)amino]phenyl}-N3-propylpiperidine-1,3-dicarboxamide

M668-1104 Screening compound: N1-{3-[(phenylcarbamoyl)amino]phenyl}-N3-propylpiperidine-1,3-dicarboxamide
M668-1104 Screening compound: N1-{3-[(phenylcarbamoyl)amino]phenyl}-N3-propylpiperidine-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M668-1104
N1-{3-[(phenylcarbamoyl)amino]phenyl}-N3-propylpiperidine-1,3-dicarboxamide

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

M668-1104

Molecular Formula

C23H29N5O3 (C23 H29 N5 O3)

Compound Name

N1-{3-[(phenylcarbamoyl)amino]phenyl}-N3-propylpiperidine-1,3-dicarboxamide

IUPAC name

N1-{3-[(phenylcarbamoyl)amino]phenyl}-N3-propylpiperidine-13-dicarboxamide

SMILES

CCCNC(C(CCC1)CN1C(Nc1cc(NC(Nc2ccccc2)=O)ccc1)=O)=O

InChI

InChI=1S/C23H29N5O3/c1-2-13-24-21(29)17-8-7-14-28(16-17)23(31)27-20-12-6-11-19(15-20)26-22(30)25-18-9-4-3-5-10-18/h3-6,9-12,15,17H,2,7-8,13-14,16H2,1H3,(H,24,29)(H,27,31)(H2,25,26,30)/t17-/m0/s1

InChI Key

BPQPETSYRKCICU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27550329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.353

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.50

Polar Surface Area

82.470

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

M668-1104 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M668-1104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M668-1104?
Check Price and Availability of M668-1104, 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 M668-1104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M668-1104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M668-1104
  • 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 M668-1104 available by request