D516-0351 Screening compound: N-(2-{1-methyl-5-[(phenylcarbamoyl)amino]-1H-1,3-benzodiazol-2-yl}ethyl)cyclopentanecarboxamide

D516-0351 Screening compound: N-(2-{1-methyl-5-[(phenylcarbamoyl)amino]-1H-1,3-benzodiazol-2-yl}ethyl)cyclopentanecarboxamide
D516-0351 Screening compound: N-(2-{1-methyl-5-[(phenylcarbamoyl)amino]-1H-1,3-benzodiazol-2-yl}ethyl)cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0351
N-(2-{1-methyl-5-[(phenylcarbamoyl)amino]-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

D516-0351

Molecular Formula

C23H27N5O2 (C23 H27 N5 O2)

Compound Name

N-(2-{1-methyl-5-[(phenylcarbamoyl)amino]-1H-1,3-benzodiazol-2-yl}ethyl)cyclopentanecarboxamide

IUPAC name

N-(2-{1-methyl-5-[(phenylcarbamoyl)amino]-1H-13-benzodiazol-2-yl}ethyl)cyclopentanecarboxamide

SMILES

Cn1c(ccc(NC(Nc2ccccc2)=O)c2)c2nc1CCNC(C1CCCC1)=O

InChI

InChI=1S/C23H27N5O2/c1-28-20-12-11-18(26-23(30)25-17-9-3-2-4-10-17)15-19(20)27-21(28)13-14-24-22(29)16-7-5-6-8-16/h2-4,9-12,15-16H,5-8,13-14H2,1H3,(H,24,29)(H2,25,26,30)

InChI Key

CJMWMJCGNVJIOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-3.98

Polar Surface Area

69.341

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D516-0351 in Drug Discovery

Included in Screening Libraries

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

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D516-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0351?
Check Price and Availability of D516-0351, 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 D516-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0351
  • 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 D516-0351 available by request