V002-0079 Screening compound: methyl 3-({4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carbonyl}amino)-2-methylbenzoate

V002-0079 Screening compound: methyl 3-({4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carbonyl}amino)-2-methylbenzoate
V002-0079 Screening compound: methyl 3-({4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carbonyl}amino)-2-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-0079
methyl 3-({4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carbonyl}amino)-2-methylbenzoate

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

V002-0079

Molecular Formula

C29H30ClF2N3O4 (C29 H30 ClF2 N3 O4)

Compound Name

methyl 3-({4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carbonyl}amino)-2-methylbenzoate

IUPAC name

methyl 3-({4-[2-(4-chlorophenyl)-2-[(26-difluorophenyl)methoxy]ethyl]piperazine-1-carbonyl}amino)-2-methylbenzoate

SMILES

Cc(c(C(OC)=O)ccc1)c1NC(N1CCN(CC(c(cc2)ccc2Cl)OCc(c(F)ccc2)c2F)CC1)=O

InChI

InChI=1S/C29H30ClF2N3O4/c1-19-22(28(36)38-2)5-3-8-26(19)33-29(37)35-15-13-34(14-16-35)17-27(20-9-11-21(30)12-10-20)39-18-23-24(31)6-4-7-25(23)32/h3-12,27H,13-18H2,1-2H3,(H,33,37)/t27-/m0/s1

InChI Key

JPMGDUXEMPWEOR-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19971404

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

558.02

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

5.443

Distribution Coefficient, logD

5.378

Water Solubility, LogSw

-6.10

Polar Surface Area

56.605

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

V002-0079 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V002-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-0079?
Check Price and Availability of V002-0079, 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 V002-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-0079
  • 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 V002-0079 available by request