D011-0129 Screening compound: N-[2-(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-1,3-benzodiazol-2-yl)ethyl]cyclohexanecarboxamide

D011-0129 Screening compound: N-[2-(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-1,3-benzodiazol-2-yl)ethyl]cyclohexanecarboxamide
D011-0129 Screening compound: N-[2-(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-1,3-benzodiazol-2-yl)ethyl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0129
N-[2-(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-1,3-benzodiazol-2-yl)ethyl]cyclohexanecarboxamide

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

D011-0129

Molecular Formula

C28H37N3O2 (C28 H37 N3 O2)

Compound Name

N-[2-(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-1,3-benzodiazol-2-yl)ethyl]cyclohexanecarboxamide

IUPAC name

N-[2-(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-13-benzodiazol-2-yl)ethyl]cyclohexanecarboxamide

SMILES

CC(C)c(ccc(C)c1)c1OCCn1c(cccc2)c2nc1CCNC(C1CCCCC1)=O

InChI

InChI=1S/C28H37N3O2/c1-20(2)23-14-13-21(3)19-26(23)33-18-17-31-25-12-8-7-11-24(25)30-27(31)15-16-29-28(32)22-9-5-4-6-10-22/h7-8,11-14,19-20,22H,4-6,9-10,15-18H2,1-3H3,(H,29,32)

InChI Key

QGGLWIVMABUOAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07440467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.525

Distribution Coefficient, logD

6.525

Water Solubility, LogSw

-5.33

Polar Surface Area

43.073

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D011-0129 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with D011-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0129?
Check Price and Availability of D011-0129, 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 D011-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0129
  • 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 D011-0129 available by request