V031-0648 Screening compound: 4-[({3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl}methyl)carbamoyl]benzene-1-sulfonyl fluoride

V031-0648 Screening compound: 4-[({3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl}methyl)carbamoyl]benzene-1-sulfonyl fluoride
V031-0648 Screening compound: 4-[({3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl}methyl)carbamoyl]benzene-1-sulfonyl fluoride alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0648
4-[({3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl}methyl)carbamoyl]benzene-1-sulfonyl fluoride

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

V031-0648

Molecular Formula

C24H20FN3O4S (C24 H20 FN3 O4 S)

Compound Name

4-[({3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl}methyl)carbamoyl]benzene-1-sulfonyl fluoride

IUPAC name

4-[({3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl}methyl)carbamoyl]benzene-1-sulfonyl fluoride

SMILES

COc1cccc(-c2cnc(-c3cccc(CNC(c(cc4)ccc4S(F)(=O)=O)=O)c3)[nH]2)c1

InChI

InChI=1S/C24H20FN3O4S/c1-32-20-7-3-5-18(13-20)22-15-26-23(28-22)19-6-2-4-16(12-19)14-27-24(29)17-8-10-21(11-9-17)33(25,30)31/h2-13,15H,14H2,1H3,(H,26,28)(H,27,29)

InChI Key

YBYBKXPZQXQRLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951600

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

465.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.352

Water Solubility, LogSw

-4.30

Polar Surface Area

81.653

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

V031-0648 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V031-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0648?
Check Price and Availability of V031-0648, 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 V031-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0648
  • 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 V031-0648 available by request