V030-2513 Screening compound: 5-(4-tert-butylbenzenesulfonamido)-1-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-1H-indole-2-carboxamide

V030-2513 Screening compound: 5-(4-tert-butylbenzenesulfonamido)-1-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-1H-indole-2-carboxamide
V030-2513 Screening compound: 5-(4-tert-butylbenzenesulfonamido)-1-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-2513
5-(4-tert-butylbenzenesulfonamido)-1-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-1H-indole-2-carboxamide

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

V030-2513

Molecular Formula

C31H37N3O4S (C31 H37 N3 O4 S)

Compound Name

5-(4-tert-butylbenzenesulfonamido)-1-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-1H-indole-2-carboxamide

IUPAC name

5-(4-tert-butylbenzenesulfonamido)-1-[(25-dimethylphenyl)methyl]-N-(2-methoxyethyl)-1H-indole-2-carboxamide

SMILES

CC(C)(C)c(cc1)ccc1S(Nc(cc1)cc2c1n(Cc1c(C)ccc(C)c1)c(C(NCCOC)=O)c2)(=O)=O

InChI

InChI=1S/C31H37N3O4S/c1-21-7-8-22(2)24(17-21)20-34-28-14-11-26(18-23(28)19-29(34)30(35)32-15-16-38-6)33-39(36,37)27-12-9-25(10-13-27)31(3,4)5/h7-14,17-19,33H,15-16,20H2,1-6H3,(H,32,35)

InChI Key

GWUCJACQTBZUCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19776824

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

547.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.296

Distribution Coefficient, logD

7.292

Water Solubility, LogSw

-5.71

Polar Surface Area

74.211

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

V030-2513 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Indole Derivatives (10091 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Structure:
  • Cyclic compounds
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V030-2513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-2513?
Check Price and Availability of V030-2513, 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 V030-2513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-2513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-2513
  • 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 V030-2513 available by request