D011-5253 Screening compound: N-(1-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)acetamide

D011-5253 Screening compound: N-(1-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)acetamide
D011-5253 Screening compound: N-(1-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-5253
N-(1-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)acetamide

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

D011-5253

Molecular Formula

C18H18ClN3O (C18 H18 ClN3 O)

Compound Name

N-(1-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)acetamide

IUPAC name

N-(1-{1-[(2-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)acetamide

SMILES

CC(c1nc(cccc2)c2n1Cc(cccc1)c1Cl)NC(C)=O

InChI

InChI=1S/C18H18ClN3O/c1-12(20-13(2)23)18-21-16-9-5-6-10-17(16)22(18)11-14-7-3-4-8-15(14)19/h3-10,12H,11H2,1-2H3,(H,20,23)/t12-/m0/s1

InChI Key

CJKFSVGTEVRBBE-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD04215415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.531

Distribution Coefficient, logD

3.531

Water Solubility, LogSw

-3.63

Polar Surface Area

33.914

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D011-5253 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Nervous system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D011-5253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-5253?
Check Price and Availability of D011-5253, 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 D011-5253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-5253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-5253
  • 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 D011-5253 available by request