V028-0318 Screening compound: N-{[2-(dimethylamino)-5-(4-methoxybenzenesulfonamido)phenyl]methyl}-N-[(3-fluorophenyl)methyl]cyclopropanecarboxamide

V028-0318 Screening compound: N-{[2-(dimethylamino)-5-(4-methoxybenzenesulfonamido)phenyl]methyl}-N-[(3-fluorophenyl)methyl]cyclopropanecarboxamide
V028-0318 Screening compound: N-{[2-(dimethylamino)-5-(4-methoxybenzenesulfonamido)phenyl]methyl}-N-[(3-fluorophenyl)methyl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0318
N-{[2-(dimethylamino)-5-(4-methoxybenzenesulfonamido)phenyl]methyl}-N-[(3-fluorophenyl)methyl]cyclopropanecarboxamide

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

V028-0318

Molecular Formula

C27H30FN3O4S (C27 H30 FN3 O4 S)

Compound Name

N-{[2-(dimethylamino)-5-(4-methoxybenzenesulfonamido)phenyl]methyl}-N-[(3-fluorophenyl)methyl]cyclopropanecarboxamide

IUPAC name

N-{[2-(dimethylamino)-5-(4-methoxybenzenesulfonamido)phenyl]methyl}-N-[(3-fluorophenyl)methyl]cyclopropanecarboxamide

SMILES

CN(C)c(cc1)c(CN(Cc2cc(F)ccc2)C(C2CC2)=O)cc1NS(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C27H30FN3O4S/c1-30(2)26-14-9-23(29-36(33,34)25-12-10-24(35-3)11-13-25)16-21(26)18-31(27(32)20-7-8-20)17-19-5-4-6-22(28)15-19/h4-6,9-16,20,29H,7-8,17-18H2,1-3H3

InChI Key

QZIGFLVYCSSGHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19801360

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

511.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.871

Distribution Coefficient, logD

4.852

Water Solubility, LogSw

-4.75

Polar Surface Area

67.398

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

8.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

V028-0318 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with V028-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0318?
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What is the minimum amount of V028-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0318
  • 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 V028-0318 available by request