D516-0133 Screening compound: N-{2-[2-(cyclopentylformamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzamide

D516-0133 Screening compound: N-{2-[2-(cyclopentylformamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzamide
D516-0133 Screening compound: N-{2-[2-(cyclopentylformamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0133
N-{2-[2-(cyclopentylformamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzamide

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

D516-0133

Molecular Formula

C25H30N4O4 (C25 H30 N4 O4)

Compound Name

N-{2-[2-(cyclopentylformamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzamide

IUPAC name

N-{2-[2-(cyclopentylformamido)ethyl]-1-methyl-1H-13-benzodiazol-5-yl}-34-dimethoxybenzamide

SMILES

Cn1c(ccc(NC(c(cc2)cc(OC)c2OC)=O)c2)c2nc1CCNC(C1CCCC1)=O

InChI

InChI=1S/C25H30N4O4/c1-29-20-10-9-18(27-25(31)17-8-11-21(32-2)22(14-17)33-3)15-19(20)28-23(29)12-13-26-24(30)16-6-4-5-7-16/h8-11,14-16H,4-7,12-13H2,1-3H3,(H,26,30)(H,27,31)

InChI Key

YUKLGTLOOAAWLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.076

Distribution Coefficient, logD

3.071

Water Solubility, LogSw

-3.39

Polar Surface Area

75.390

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D516-0133 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D516-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0133?
Check Price and Availability of D516-0133, 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 D516-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0133
  • 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 D516-0133 available by request