D516-0145 Screening compound: N-(2-{5-[2-(2-chlorophenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)cyclopentanecarboxamide

D516-0145 Screening compound: N-(2-{5-[2-(2-chlorophenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)cyclopentanecarboxamide
D516-0145 Screening compound: N-(2-{5-[2-(2-chlorophenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0145
N-(2-{5-[2-(2-chlorophenoxy)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

D516-0145

Molecular Formula

C24H27ClN4O3 (C24 H27 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(ccc(NC(COc(cccc2)c2Cl)=O)c2)c2nc1CCNC(C1CCCC1)=O

InChI

InChI=1S/C24H27ClN4O3/c1-29-20-11-10-17(27-23(30)15-32-21-9-5-4-8-18(21)25)14-19(20)28-22(29)12-13-26-24(31)16-6-2-3-7-16/h4-5,8-11,14,16H,2-3,6-7,12-13,15H2,1H3,(H,26,31)(H,27,30)

InChI Key

UVEYFPQAFTVIMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.880

Distribution Coefficient, logD

3.775

Water Solubility, LogSw

-4.19

Polar Surface Area

67.501

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with D516-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0145?
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What is the minimum amount of D516-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0145
  • 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 D516-0145 available by request