V024-5748 Screening compound: 3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate

V024-5748 Screening compound: 3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
V024-5748 Screening compound: 3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-5748
3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-methoxybenzene-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

V024-5748

Molecular Formula

C22H29NO5S (C22 H29 NO5 S)

Compound Name

3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate

IUPAC name

3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate

SMILES

CCC(C)N(Cc1cccc(OS(c(cc2)ccc2OC)(=O)=O)c1)C(C(C)C)=O

InChI

InChI=1S/C22H29NO5S/c1-6-17(4)23(22(24)16(2)3)15-18-8-7-9-20(14-18)28-29(25,26)21-12-10-19(27-5)11-13-21/h7-14,16-17H,6,15H2,1-5H3/t17-/m0/s1

InChI Key

DTYCSRVJBXUOHG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19788295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.523

Distribution Coefficient, logD

4.523

Water Solubility, LogSw

-4.43

Polar Surface Area

59.355

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

V024-5748 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V024-5748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-5748?
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What is the minimum amount of V024-5748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-5748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-5748
  • 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 V024-5748 available by request