D666-0061 Screening compound: 5-({4-[(cyclopentylamino)methyl]-2-methoxyphenoxy}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D666-0061 Screening compound: 5-({4-[(cyclopentylamino)methyl]-2-methoxyphenoxy}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D666-0061 Screening compound: 5-({4-[(cyclopentylamino)methyl]-2-methoxyphenoxy}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D666-0061
5-({4-[(cyclopentylamino)methyl]-2-methoxyphenoxy}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

D666-0061

Molecular Formula

C23H29N3O3 (C23 H29 N3 O3)

Compound Name

5-({4-[(cyclopentylamino)methyl]-2-methoxyphenoxy}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-({4-[(cyclopentylamino)methyl]-2-methoxyphenoxy}methyl)-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(ccc(COc(ccc(CNC1CCCC1)c1)c1OC)c1)c1N1C)C1=O

InChI

InChI=1S/C23H29N3O3/c1-25-19-10-8-17(12-20(19)26(2)23(25)27)15-29-21-11-9-16(13-22(21)28-3)14-24-18-6-4-5-7-18/h8-13,18,24H,4-7,14-15H2,1-3H3

InChI Key

SXUUQGNXNHGNSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16496248

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.011

Distribution Coefficient, logD

-0.873

Water Solubility, LogSw

-3.31

Polar Surface Area

44.516

Acid Dissociation Constant (pKa)

26.30

Base Dissociation Constant (pKb)

11.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

D666-0061 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D666-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D666-0061?
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What is the minimum amount of D666-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D666-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D666-0061
  • 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 D666-0061 available by request