V013-5601 Screening compound: N~1~-[2-[(1,2-dimethylpropyl)amino]-2-oxo-1-(1-propionyl-4-piperidyl)ethyl]-3-methylbenzamide

V013-5601 Screening compound: N~1~-[2-[(1,2-dimethylpropyl)amino]-2-oxo-1-(1-propionyl-4-piperidyl)ethyl]-3-methylbenzamide
V013-5601 Screening compound: N~1~-[2-[(1,2-dimethylpropyl)amino]-2-oxo-1-(1-propionyl-4-piperidyl)ethyl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5601
N~1~-[2-[(1,2-dimethylpropyl)amino]-2-oxo-1-(1-propionyl-4-piperidyl)ethyl]-3-methylbenzamide

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

V013-5601

Molecular Formula

C23H35N3O3 (C23 H35 N3 O3)

Compound Name

N~1~-[2-[(1,2-dimethylpropyl)amino]-2-oxo-1-(1-propionyl-4-piperidyl)ethyl]-3-methylbenzamide

IUPAC name

N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)formamido]-2-(1-propanoylpiperidin-4-yl)acetamide

SMILES

CCC(N(CC1)CCC1C(C(NC(C)C(C)C)=O)NC(c1cc(C)ccc1)=O)=O

InChI

InChI=1S/C23H35N3O3/c1-6-20(27)26-12-10-18(11-13-26)21(23(29)24-17(5)15(2)3)25-22(28)19-9-7-8-16(4)14-19/h7-9,14-15,17-18,21H,6,10-13H2,1-5H3,(H,24,29)(H,25,28)

InChI Key

KXTYEHHRZHJUGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19875329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.502

Distribution Coefficient, logD

3.502

Water Solubility, LogSw

-3.51

Polar Surface Area

64.244

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.90

V013-5601 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V013-5601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5601?
Check Price and Availability of V013-5601, 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 V013-5601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5601
  • 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 V013-5601 available by request