D516-0148 Screening compound: N-(2-{5-[2-(4-tert-butylphenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)cyclopentanecarboxamide

D516-0148 Screening compound: N-(2-{5-[2-(4-tert-butylphenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)cyclopentanecarboxamide
D516-0148 Screening compound: N-(2-{5-[2-(4-tert-butylphenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0148
N-(2-{5-[2-(4-tert-butylphenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)cyclopentanecarboxamide

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

D516-0148

Molecular Formula

C28H36N4O3 (C28 H36 N4 O3)

Compound Name

N-(2-{5-[2-(4-tert-butylphenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)cyclopentanecarboxamide

IUPAC name

N-(2-{5-[2-(4-tert-butylphenoxy)acetamido]-1-methyl-1H-13-benzodiazol-2-yl}ethyl)cyclopentanecarboxamide

SMILES

CC(C)(C)c(cc1)ccc1OCC(Nc(cc1)cc2c1n(C)c(CCNC(C1CCCC1)=O)n2)=O

InChI

InChI=1S/C28H36N4O3/c1-28(2,3)20-9-12-22(13-10-20)35-18-26(33)30-21-11-14-24-23(17-21)31-25(32(24)4)15-16-29-27(34)19-7-5-6-8-19/h9-14,17,19H,5-8,15-16,18H2,1-4H3,(H,29,34)(H,30,33)

InChI Key

NGLPJZAGHYSKTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.280

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-5.06

Polar Surface Area

67.415

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

D516-0148 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 D516-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0148?
Check Price and Availability of D516-0148, 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 D516-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0148
  • 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 D516-0148 available by request