V018-0139 Screening compound: ethyl 1-(3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}propanoyl)piperidine-3-carboxylate

V018-0139 Screening compound: ethyl 1-(3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}propanoyl)piperidine-3-carboxylate
V018-0139 Screening compound: ethyl 1-(3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}propanoyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0139
ethyl 1-(3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}propanoyl)piperidine-3-carboxylate

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

V018-0139

Molecular Formula

C25H27Cl2N3O3 (C25 H27 Cl2 N3 O3)

Compound Name

ethyl 1-(3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}propanoyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(3-{2-[(26-dichlorophenyl)methyl]-1H-13-benzodiazol-1-yl}propanoyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(CCn1c(cccc2)c2nc1Cc(c(Cl)ccc1)c1Cl)=O)=O

InChI

InChI=1S/C25H27Cl2N3O3/c1-2-33-25(32)17-7-6-13-29(16-17)24(31)12-14-30-22-11-4-3-10-21(22)28-23(30)15-18-19(26)8-5-9-20(18)27/h3-5,8-11,17H,2,6-7,12-16H2,1H3/t17-/m0/s1

InChI Key

WUNBRGDXCJJBRV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19782103

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.032

Distribution Coefficient, logD

5.031

Water Solubility, LogSw

-5.05

Polar Surface Area

47.930

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V018-0139 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V018-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0139?
Check Price and Availability of V018-0139, 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 V018-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0139
  • 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 V018-0139 available by request