V001-3053 Screening compound: 1-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]-N-(propan-2-yl)piperidine-4-carboxamide

V001-3053 Screening compound: 1-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]-N-(propan-2-yl)piperidine-4-carboxamide
V001-3053 Screening compound: 1-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]-N-(propan-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-3053
1-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]-N-(propan-2-yl)piperidine-4-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

V001-3053

Molecular Formula

C21H32N4O (C21 H32 N4 O)

Compound Name

1-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]-N-(propan-2-yl)piperidine-4-carboxamide

IUPAC name

1-[1-(3-methylbutyl)-1H-13-benzodiazol-2-yl]-N-(propan-2-yl)piperidine-4-carboxamide

SMILES

CC(C)CCn1c(N(CC2)CCC2C(NC(C)C)=O)nc2c1cccc2

InChI

InChI=1S/C21H32N4O/c1-15(2)9-14-25-19-8-6-5-7-18(19)23-21(25)24-12-10-17(11-13-24)20(26)22-16(3)4/h5-8,15-17H,9-14H2,1-4H3,(H,22,26)

InChI Key

LDCXDJPOKORDAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19968844

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

356.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.365

Distribution Coefficient, logD

4.361

Water Solubility, LogSw

-4.05

Polar Surface Area

37.069

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

8.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

V001-3053 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nucleic Acid Ligands (8311 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V001-3053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-3053?
Check Price and Availability of V001-3053, 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 V001-3053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-3053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-3053
  • 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 V001-3053 available by request