D073-0180 Screening compound: N-[1-methyl-2-(2-propanamidoethyl)-1H-1,3-benzodiazol-5-yl]cyclohexanecarboxamide

D073-0180 Screening compound: N-[1-methyl-2-(2-propanamidoethyl)-1H-1,3-benzodiazol-5-yl]cyclohexanecarboxamide
D073-0180 Screening compound: N-[1-methyl-2-(2-propanamidoethyl)-1H-1,3-benzodiazol-5-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0180
N-[1-methyl-2-(2-propanamidoethyl)-1H-1,3-benzodiazol-5-yl]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

D073-0180

Molecular Formula

C20H28N4O2 (C20 H28 N4 O2)

Compound Name

N-[1-methyl-2-(2-propanamidoethyl)-1H-1,3-benzodiazol-5-yl]cyclohexanecarboxamide

IUPAC name

N-[1-methyl-2-(2-propanamidoethyl)-1H-13-benzodiazol-5-yl]cyclohexanecarboxamide

SMILES

CCC(NCCc1nc(cc(cc2)NC(C3CCCCC3)=O)c2n1C)=O

InChI

InChI=1S/C20H28N4O2/c1-3-19(25)21-12-11-18-23-16-13-15(9-10-17(16)24(18)2)22-20(26)14-7-5-4-6-8-14/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,21,25)(H,22,26)

InChI Key

TVTBRUDALQKRHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06595380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

2.250

Water Solubility, LogSw

-2.98

Polar Surface Area

59.821

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

D073-0180 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D073-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0180?
Check Price and Availability of D073-0180, 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 D073-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0180
  • 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 D073-0180 available by request