D666-0197 Screening compound: 5-[(2-methoxy-4-{[(propan-2-yl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D666-0197 Screening compound: 5-[(2-methoxy-4-{[(propan-2-yl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D666-0197 Screening compound: 5-[(2-methoxy-4-{[(propan-2-yl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D666-0197
5-[(2-methoxy-4-{[(propan-2-yl)amino]methyl}phenoxy)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

D666-0197

Molecular Formula

C21H27N3O3 (C21 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NCc(cc1)cc(OC)c1OCc(cc1)cc(N2C)c1N(C)C2=O

InChI

InChI=1S/C21H27N3O3/c1-14(2)22-12-15-7-9-19(20(11-15)26-5)27-13-16-6-8-17-18(10-16)24(4)21(25)23(17)3/h6-11,14,22H,12-13H2,1-5H3

InChI Key

ZLGHIOYDKJRQOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13370253

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

369.46

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

2.453

Distribution Coefficient, logD

-1.582

Water Solubility, LogSw

-2.94

Polar Surface Area

43.670

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

11.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D666-0197 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D666-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D666-0197?
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What is the minimum amount of D666-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D666-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D666-0197
  • 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 D666-0197 available by request