V016-5957 Screening compound: methyl 2-[(4-{2-[(3,4-difluorophenyl)(phenyl)methoxy]ethyl}piperazine-1-carbonyl)amino]benzoate

V016-5957 Screening compound: methyl 2-[(4-{2-[(3,4-difluorophenyl)(phenyl)methoxy]ethyl}piperazine-1-carbonyl)amino]benzoate
V016-5957 Screening compound: methyl 2-[(4-{2-[(3,4-difluorophenyl)(phenyl)methoxy]ethyl}piperazine-1-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-5957
methyl 2-[(4-{2-[(3,4-difluorophenyl)(phenyl)methoxy]ethyl}piperazine-1-carbonyl)amino]benzoate

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

V016-5957

Molecular Formula

C28H29F2N3O4 (C28 H29 F2 N3 O4)

Compound Name

methyl 2-[(4-{2-[(3,4-difluorophenyl)(phenyl)methoxy]ethyl}piperazine-1-carbonyl)amino]benzoate

IUPAC name

methyl 2-[(4-{2-[(34-difluorophenyl)(phenyl)methoxy]ethyl}piperazine-1-carbonyl)amino]benzoate

SMILES

COC(c(cccc1)c1NC(N1CCN(CCOC(c2ccccc2)c(cc2)cc(F)c2F)CC1)=O)=O

InChI

InChI=1S/C28H29F2N3O4/c1-36-27(34)22-9-5-6-10-25(22)31-28(35)33-15-13-32(14-16-33)17-18-37-26(20-7-3-2-4-8-20)21-11-12-23(29)24(30)19-21/h2-12,19,26H,13-18H2,1H3,(H,31,35)/t26-/m0/s1

InChI Key

WFPNKZVEOIEEAO-SANMLTNESA-N

MDL Number (MFCD)

MFCD19965269

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

509.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.070

Distribution Coefficient, logD

4.779

Water Solubility, LogSw

-4.72

Polar Surface Area

56.605

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

7.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V016-5957 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V016-5957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-5957?
Check Price and Availability of V016-5957, 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 V016-5957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-5957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-5957
  • 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 V016-5957 available by request