D664-0121 Screening compound: 1,3-dimethyl-5-({[4-(morpholin-4-yl)phenyl]amino}methyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

D664-0121 Screening compound: 1,3-dimethyl-5-({[4-(morpholin-4-yl)phenyl]amino}methyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
D664-0121 Screening compound: 1,3-dimethyl-5-({[4-(morpholin-4-yl)phenyl]amino}methyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D664-0121
1,3-dimethyl-5-({[4-(morpholin-4-yl)phenyl]amino}methyl)-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

D664-0121

Molecular Formula

C20H24N4O2 (C20 H24 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(CNc(cc1)ccc1N1CCOCC1)c1)c1N1C)C1=O

InChI

InChI=1S/C20H24N4O2/c1-22-18-8-3-15(13-19(18)23(2)20(22)25)14-21-16-4-6-17(7-5-16)24-9-11-26-12-10-24/h3-8,13,21H,9-12,14H2,1-2H3

InChI Key

WKFGDYCKKIIQME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13370241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.44

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

2.426

Distribution Coefficient, logD

2.425

Water Solubility, LogSw

-2.91

Polar Surface Area

39.519

Acid Dissociation Constant (pKa)

20.48

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D664-0121 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D664-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D664-0121?
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What is the minimum amount of D664-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D664-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D664-0121
  • 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 D664-0121 available by request