D516-0190 Screening compound: N-{2-[5-(2,2-dimethylpropanamido)-1-methyl-1H-1,3-benzodiazol-2-yl]ethyl}-2-ethylbutanamide

D516-0190 Screening compound: N-{2-[5-(2,2-dimethylpropanamido)-1-methyl-1H-1,3-benzodiazol-2-yl]ethyl}-2-ethylbutanamide
D516-0190 Screening compound: N-{2-[5-(2,2-dimethylpropanamido)-1-methyl-1H-1,3-benzodiazol-2-yl]ethyl}-2-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0190
N-{2-[5-(2,2-dimethylpropanamido)-1-methyl-1H-1,3-benzodiazol-2-yl]ethyl}-2-ethylbutanamide

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

D516-0190

Molecular Formula

C21H32N4O2 (C21 H32 N4 O2)

Compound Name

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

IUPAC name

N-{2-[5-(22-dimethylpropanamido)-1-methyl-1H-13-benzodiazol-2-yl]ethyl}-2-ethylbutanamide

SMILES

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

InChI

InChI=1S/C21H32N4O2/c1-7-14(8-2)19(26)22-12-11-18-24-16-13-15(9-10-17(16)25(18)6)23-20(27)21(3,4)5/h9-10,13-14H,7-8,11-12H2,1-6H3,(H,22,26)(H,23,27)

InChI Key

GOBYBAALSWIZDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.51

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

3.262

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.34

Polar Surface Area

60.114

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

D516-0190 in Drug Discovery

Included in Screening Libraries

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 D516-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0190?
Check Price and Availability of D516-0190, 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 D516-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0190
  • 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 D516-0190 available by request