D516-0188 Screening compound: 2-ethyl-N-{2-[1-methyl-5-(2-methylpropanamido)-1H-1,3-benzodiazol-2-yl]ethyl}butanamide

D516-0188 Screening compound: 2-ethyl-N-{2-[1-methyl-5-(2-methylpropanamido)-1H-1,3-benzodiazol-2-yl]ethyl}butanamide
D516-0188 Screening compound: 2-ethyl-N-{2-[1-methyl-5-(2-methylpropanamido)-1H-1,3-benzodiazol-2-yl]ethyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0188
2-ethyl-N-{2-[1-methyl-5-(2-methylpropanamido)-1H-1,3-benzodiazol-2-yl]ethyl}butanamide

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

D516-0188

Molecular Formula

C20H30N4O2 (C20 H30 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H30N4O2/c1-6-14(7-2)20(26)21-11-10-18-23-16-12-15(22-19(25)13(3)4)8-9-17(16)24(18)5/h8-9,12-14H,6-7,10-11H2,1-5H3,(H,21,26)(H,22,25)

InChI Key

BCRGNCMRHGZBIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.48

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

3.011

Distribution Coefficient, logD

2.906

Water Solubility, LogSw

-3.27

Polar Surface Area

60.114

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

D516-0188 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 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 D516-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0188?
Check Price and Availability of D516-0188, 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 D516-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0188
  • 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 D516-0188 available by request