V005-5077 Screening compound: ethyl 1-(2-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}pentanoyl)piperidine-4-carboxylate

V005-5077 Screening compound: ethyl 1-(2-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}pentanoyl)piperidine-4-carboxylate
V005-5077 Screening compound: ethyl 1-(2-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}pentanoyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-5077
ethyl 1-(2-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}pentanoyl)piperidine-4-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

V005-5077

Molecular Formula

C27H32ClN3O3 (C27 H32 ClN3 O3)

Compound Name

ethyl 1-(2-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}pentanoyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(2-{2-[(2-chlorophenyl)methyl]-1H-13-benzodiazol-1-yl}pentanoyl)piperidine-4-carboxylate

SMILES

CCCC(C(N(CC1)CCC1C(OCC)=O)=O)n1c(cccc2)c2nc1Cc(cccc1)c1Cl

InChI

InChI=1S/C27H32ClN3O3/c1-3-9-24(26(32)30-16-14-19(15-17-30)27(33)34-4-2)31-23-13-8-7-12-22(23)29-25(31)18-20-10-5-6-11-21(20)28/h5-8,10-13,19,24H,3-4,9,14-18H2,1-2H3/t24-/m0/s1

InChI Key

PXBYJNCEUZZJNH-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19791998

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.700

Distribution Coefficient, logD

5.699

Water Solubility, LogSw

-5.81

Polar Surface Area

48.825

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V005-5077 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V005-5077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-5077?
Check Price and Availability of V005-5077, 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 V005-5077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-5077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-5077
  • 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 V005-5077 available by request