D516-0350 Screening compound: 4-tert-butyl-N-{2-[2-(cyclopentylformamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide

D516-0350 Screening compound: 4-tert-butyl-N-{2-[2-(cyclopentylformamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide
D516-0350 Screening compound: 4-tert-butyl-N-{2-[2-(cyclopentylformamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0350
4-tert-butyl-N-{2-[2-(cyclopentylformamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide

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

D516-0350

Molecular Formula

C27H34N4O2 (C27 H34 N4 O2)

Compound Name

4-tert-butyl-N-{2-[2-(cyclopentylformamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide

IUPAC name

4-tert-butyl-N-{2-[2-(cyclopentylformamido)ethyl]-1-methyl-1H-13-benzodiazol-5-yl}benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)cc2c1n(C)c(CCNC(C1CCCC1)=O)n2)=O

InChI

InChI=1S/C27H34N4O2/c1-27(2,3)20-11-9-19(10-12-20)26(33)29-21-13-14-23-22(17-21)30-24(31(23)4)15-16-28-25(32)18-7-5-6-8-18/h9-14,17-18H,5-8,15-16H2,1-4H3,(H,28,32)(H,29,33)

InChI Key

LHTCBWDBKSZJRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.246

Distribution Coefficient, logD

5.241

Water Solubility, LogSw

-4.93

Polar Surface Area

60.129

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D516-0350 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D516-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0350?
Check Price and Availability of D516-0350, 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 D516-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0350
  • 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 D516-0350 available by request