V027-0000 Screening compound: N-benzyl-5-cyclobutaneamido-2-(4-cyclopropanecarbonylpiperazin-1-yl)-N-methylbenzamide

V027-0000 Screening compound: N-benzyl-5-cyclobutaneamido-2-(4-cyclopropanecarbonylpiperazin-1-yl)-N-methylbenzamide
V027-0000 Screening compound: N-benzyl-5-cyclobutaneamido-2-(4-cyclopropanecarbonylpiperazin-1-yl)-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-0000
N-benzyl-5-cyclobutaneamido-2-(4-cyclopropanecarbonylpiperazin-1-yl)-N-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

V027-0000

Molecular Formula

C28H34N4O3 (C28 H34 N4 O3)

Compound Name

N-benzyl-5-cyclobutaneamido-2-(4-cyclopropanecarbonylpiperazin-1-yl)-N-methylbenzamide

IUPAC name

N-benzyl-5-cyclobutaneamido-2-(4-cyclopropanecarbonylpiperazin-1-yl)-N-methylbenzamide

SMILES

CN(Cc1ccccc1)C(c(cc(cc1)NC(C2CCC2)=O)c1N(CC1)CCN1C(C1CC1)=O)=O

InChI

InChI=1S/C28H34N4O3/c1-30(19-20-6-3-2-4-7-20)28(35)24-18-23(29-26(33)21-8-5-9-21)12-13-25(24)31-14-16-32(17-15-31)27(34)22-10-11-22/h2-4,6-7,12-13,18,21-22H,5,8-11,14-17,19H2,1H3,(H,29,33)

InChI Key

SRTBJVWEMKFAIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14253795

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.056

Distribution Coefficient, logD

3.056

Water Solubility, LogSw

-3.52

Polar Surface Area

60.134

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

V027-0000 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-0000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-0000?
Check Price and Availability of V027-0000, 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 V027-0000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-0000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-0000
  • 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 V027-0000 available by request