V025-5520 Screening compound: 3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

V025-5520 Screening compound: 3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
V025-5520 Screening compound: 3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5520
3-{[2-methyl-N-(propan-2-yl)propanamido]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

V025-5520

Molecular Formula

C22H28N2O5S (C22 H28 N2 O5 S)

Compound Name

3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

SMILES

CC(C)C(N(Cc1cccc(OS(c(cc2)ccc2NC(C)=O)(=O)=O)c1)C(C)C)=O

InChI

InChI=1S/C22H28N2O5S/c1-15(2)22(26)24(16(3)4)14-18-7-6-8-20(13-18)29-30(27,28)21-11-9-19(10-12-21)23-17(5)25/h6-13,15-16H,14H2,1-5H3,(H,23,25)

InChI Key

GRCGZWNRMBFQIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19789050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

3.277

Water Solubility, LogSw

-3.67

Polar Surface Area

75.488

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

V025-5520 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 V025-5520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5520?
Check Price and Availability of V025-5520, 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 V025-5520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5520
  • 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 V025-5520 available by request