D664-0122 Screening compound: 5-({[3-chloro-4-(morpholin-4-yl)phenyl]amino}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D664-0122 Screening compound: 5-({[3-chloro-4-(morpholin-4-yl)phenyl]amino}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D664-0122 Screening compound: 5-({[3-chloro-4-(morpholin-4-yl)phenyl]amino}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D664-0122
5-({[3-chloro-4-(morpholin-4-yl)phenyl]amino}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

D664-0122

Molecular Formula

C20H23ClN4O2 (C20 H23 ClN4 O2)

Compound Name

5-({[3-chloro-4-(morpholin-4-yl)phenyl]amino}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-({[3-chloro-4-(morpholin-4-yl)phenyl]amino}methyl)-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(ccc(CNc(cc1)cc(Cl)c1N1CCOCC1)c1)c1N1C)C1=O

InChI

InChI=1S/C20H23ClN4O2/c1-23-18-5-3-14(11-19(18)24(2)20(23)26)13-22-15-4-6-17(16(21)12-15)25-7-9-27-10-8-25/h3-6,11-12,22H,7-10,13H2,1-2H3

InChI Key

XCYYSPGKVXZJDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13755692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.199

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.52

Polar Surface Area

39.218

Acid Dissociation Constant (pKa)

18.60

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D664-0122 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D664-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D664-0122?
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What is the minimum amount of D664-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D664-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D664-0122
  • 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 D664-0122 available by request