V020-5042 Screening compound: N-cyclopentyl-4-fluoro-N-({4-[(thiophen-3-yl)methyl]morpholin-2-yl}methyl)benzamide

V020-5042 Screening compound: N-cyclopentyl-4-fluoro-N-({4-[(thiophen-3-yl)methyl]morpholin-2-yl}methyl)benzamide
V020-5042 Screening compound: N-cyclopentyl-4-fluoro-N-({4-[(thiophen-3-yl)methyl]morpholin-2-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-5042
N-cyclopentyl-4-fluoro-N-({4-[(thiophen-3-yl)methyl]morpholin-2-yl}methyl)benzamide

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

V020-5042

Molecular Formula

C22H27FN2O2S (C22 H27 FN2 O2 S)

Compound Name

N-cyclopentyl-4-fluoro-N-({4-[(thiophen-3-yl)methyl]morpholin-2-yl}methyl)benzamide

IUPAC name

N-cyclopentyl-4-fluoro-N-({4-[(thiophen-3-yl)methyl]morpholin-2-yl}methyl)benzamide

SMILES

O=C(c(cc1)ccc1F)N(CC1OCCN(Cc2cscc2)C1)C1CCCC1

InChI

InChI=1S/C22H27FN2O2S/c23-19-7-5-18(6-8-19)22(26)25(20-3-1-2-4-20)15-21-14-24(10-11-27-21)13-17-9-12-28-16-17/h5-9,12,16,20-21H,1-4,10-11,13-15H2/t21-/m1/s1

InChI Key

POLPBGGASLNYSK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19919360

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

402.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.616

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-3.72

Polar Surface Area

28.569

Acid Dissociation Constant (pKa)

26.30

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V020-5042 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V020-5042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-5042?
Check Price and Availability of V020-5042, 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 V020-5042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-5042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-5042
  • 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 V020-5042 available by request