D516-0195 Screening compound: N-{2-[2-(2-ethylbutanamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

D516-0195 Screening compound: N-{2-[2-(2-ethylbutanamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide
D516-0195 Screening compound: N-{2-[2-(2-ethylbutanamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0195
N-{2-[2-(2-ethylbutanamido)ethyl]-1-methyl-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

D516-0195

Molecular Formula

C23H34N4O2 (C23 H34 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H34N4O2/c1-4-16(5-2)22(28)24-14-13-21-26-19-15-18(11-12-20(19)27(21)3)25-23(29)17-9-7-6-8-10-17/h11-12,15-17H,4-10,13-14H2,1-3H3,(H,24,28)(H,25,29)

InChI Key

VGAFGOURQRFAGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

3.669

Water Solubility, LogSw

-3.84

Polar Surface Area

60.035

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

D516-0195 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D516-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0195?
Check Price and Availability of D516-0195, 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 D516-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0195
  • 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 D516-0195 available by request