C046-0402 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]propanamide

C046-0402 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]propanamide
C046-0402 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C046-0402
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]propanamide

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

C046-0402

Molecular Formula

C23H33N5O3 (C23 H33 N5 O3)

Compound Name

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]propanamide

IUPAC name

N-[3-(35-dimethylpiperidin-1-yl)propyl]-3-[2-(4-oxo-34-dihydroquinazolin-3-yl)acetamido]propanamide

SMILES

CC1CN(CCCNC(CCNC(CN(C=Nc2c3cccc2)C3=O)=O)=O)CC(C)C1

InChI

InChI=1S/C23H33N5O3/c1-17-12-18(2)14-27(13-17)11-5-9-24-21(29)8-10-25-22(30)15-28-16-26-20-7-4-3-6-19(20)23(28)31/h3-4,6-7,16-18H,5,8-15H2,1-2H3,(H,24,29)(H,25,30)

InChI Key

FMXHWFGARBDNKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.226

Distribution Coefficient, logD

-2.379

Water Solubility, LogSw

-2.37

Polar Surface Area

78.814

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.50

C046-0402 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C046-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C046-0402?
Check Price and Availability of C046-0402, 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 C046-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C046-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C046-0402
  • 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 C046-0402 available by request