V017-8502 Screening compound: N2-[5-(4-BROMOPHENYL)-1

V017-8502 Screening compound: N2-[5-(4-BROMOPHENYL)-1
V017-8502 Screening compound: N2-[5-(4-BROMOPHENYL)-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8502
N2-[5-(4-BROMOPHENYL)-1

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

V017-8502

Molecular Formula

C20H16BrF2N5O2S (C20 H16 BrF2 N5 O2 S)

Compound Name

N2-[5-(4-BROMOPHENYL)-1

IUPAC name

n/a

SMILES

O=C(C(CCC1)N1C(Nc(ccc(F)c1)c1F)=O)Nc1nnc(-c(cc2)ccc2Br)s1

InChI

InChI=1S/C20H16BrF2N5O2S/c21-12-5-3-11(4-6-12)18-26-27-19(31-18)25-17(29)16-2-1-9-28(16)20(30)24-15-8-7-13(22)10-14(15)23/h3-8,10,16H,1-2,9H2,(H,24,30)(H,25,27,29)/t16-/m0/s1

InChI Key

QJFTXNASZZWLSM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14242070

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.814

Distribution Coefficient, logD

4.814

Water Solubility, LogSw

-4.89

Polar Surface Area

71.434

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

V017-8502 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PI3K-Targeted Library (17255 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Anti-HIV1 Library (19540 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
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V017-8502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8502?
Check Price and Availability of V017-8502, 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 V017-8502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8502
  • 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 V017-8502 available by request