V026-5222 Screening compound: N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide

V026-5222 Screening compound: N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
V026-5222 Screening compound: N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5222
N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-chloro-N-[2-(morpholin-4-yl)ethyl]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

V026-5222

Molecular Formula

C31H32ClFN4O4S (C31 H32 ClFN4 O4 S)

Compound Name

N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide

IUPAC name

N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide

SMILES

O=C(c1cccc(Cl)c1)N(CCN1CCOCC1)Cc(n1Cc2ccccc2)cnc1S(Cc(cccc1)c1F)(=O)=O

InChI

InChI=1S/C31H32ClFN4O4S/c32-27-11-6-10-25(19-27)30(38)36(14-13-35-15-17-41-18-16-35)22-28-20-34-31(37(28)21-24-7-2-1-3-8-24)42(39,40)23-26-9-4-5-12-29(26)33/h1-12,19-20H,13-18,21-23H2

InChI Key

FJBQSPIPULEKKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19824458

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

611.14

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.403

Distribution Coefficient, logD

4.397

Water Solubility, LogSw

-4.47

Polar Surface Area

68.460

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

V026-5222 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V026-5222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5222?
Check Price and Availability of V026-5222, 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 V026-5222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5222
  • 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 V026-5222 available by request