V016-3904 Screening compound: N2-[5-(3-BROMOPHENYL)-1,3,4-THIADIAZOL-2-YL]-N1-[2-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE-1,2-DICARBOXAMIDE

V016-3904 Screening compound: N2-[5-(3-BROMOPHENYL)-1,3,4-THIADIAZOL-2-YL]-N1-[2-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE-1,2-DICARBOXAMIDE
V016-3904 Screening compound: N2-[5-(3-BROMOPHENYL)-1,3,4-THIADIAZOL-2-YL]-N1-[2-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE-1,2-DICARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-3904
N2-[5-(3-BROMOPHENYL)-1,3,4-THIADIAZOL-2-YL]-N1-[2-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE-1,2-DICARBOXAMIDE

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

V016-3904

Molecular Formula

C21H17BrF3N5O2S (C21 H17 BrF3 N5 O2 S)

Compound Name

N2-[5-(3-BROMOPHENYL)-1,3,4-THIADIAZOL-2-YL]-N1-[2-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE-1,2-DICARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(C(CCC1)N1C(Nc1c(C(F)(F)F)cccc1)=O)Nc1nnc(-c2cccc(Br)c2)s1

InChI

InChI=1S/C21H17BrF3N5O2S/c22-13-6-3-5-12(11-13)18-28-29-19(33-18)27-17(31)16-9-4-10-30(16)20(32)26-15-8-2-1-7-14(15)21(23,24)25/h1-3,5-8,11,16H,4,9-10H2,(H,26,32)(H,27,29,31)/t16-/m0/s1

InChI Key

GZPJUEFOOCAUEO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14242120

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

540.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.410

Distribution Coefficient, logD

5.410

Water Solubility, LogSw

-5.63

Polar Surface Area

71.434

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

V016-3904 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V016-3904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-3904?
Check Price and Availability of V016-3904, 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 V016-3904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-3904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-3904
  • 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 V016-3904 available by request