V018-3068 Screening compound: 1-(2-naphthylsulfonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidinecarboxamide

V018-3068 Screening compound: 1-(2-naphthylsulfonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidinecarboxamide
V018-3068 Screening compound: 1-(2-naphthylsulfonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3068
1-(2-naphthylsulfonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidinecarboxamide

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

V018-3068

Molecular Formula

C23H20N4O3S2 (C23 H20 N4 O3 S2)

Compound Name

1-(2-naphthylsulfonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidinecarboxamide

IUPAC name

1-(naphthalene-2-sulfonyl)-N-(5-phenyl-134-thiadiazol-2-yl)pyrrolidine-2-carboxamide

SMILES

O=C(C(CCC1)N1S(c1cc2ccccc2cc1)(=O)=O)Nc1nnc(-c2ccccc2)s1

InChI

InChI=1S/C23H20N4O3S2/c28-21(24-23-26-25-22(31-23)17-8-2-1-3-9-17)20-11-6-14-27(20)32(29,30)19-13-12-16-7-4-5-10-18(16)15-19/h1-5,7-10,12-13,15,20H,6,11,14H2,(H,24,26,28)/t20-/m0/s1

InChI Key

NLEJQSBKUJEXEA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14242140

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-4.48

Polar Surface Area

78.879

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.39

V018-3068 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V018-3068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3068?
Check Price and Availability of V018-3068, 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 V018-3068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3068
  • 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 V018-3068 available by request