V024-5992 Screening compound: 4-chloro-2-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

V024-5992 Screening compound: 4-chloro-2-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
V024-5992 Screening compound: 4-chloro-2-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-5992
4-chloro-2-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

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

V024-5992

Molecular Formula

C27H26ClFN2O6S (C27 H26 ClFN2 O6 S)

Compound Name

4-chloro-2-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

4-chloro-2-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

SMILES

CC(Nc(cc1)ccc1S(Oc(cc1)c(CN(CC2OCCC2)C(c2cc(F)ccc2)=O)cc1Cl)(=O)=O)=O

InChI

InChI=1S/C27H26ClFN2O6S/c1-18(32)30-23-8-10-25(11-9-23)38(34,35)37-26-12-7-21(28)14-20(26)16-31(17-24-6-3-13-36-24)27(33)19-4-2-5-22(29)15-19/h2,4-5,7-12,14-15,24H,3,6,13,16-17H2,1H3,(H,30,32)/t24-/m1/s1

InChI Key

YHNGOTOCUXHGSX-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19787949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.03

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.761

Distribution Coefficient, logD

3.761

Water Solubility, LogSw

-4.18

Polar Surface Area

83.942

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V024-5992 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V024-5992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-5992?
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What is the minimum amount of V024-5992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-5992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-5992
  • 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 V024-5992 available by request