D664-0094 Screening compound: 1,3-dimethyl-5-{[(1-phenylbutyl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

D664-0094 Screening compound: 1,3-dimethyl-5-{[(1-phenylbutyl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
D664-0094 Screening compound: 1,3-dimethyl-5-{[(1-phenylbutyl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D664-0094
1,3-dimethyl-5-{[(1-phenylbutyl)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

D664-0094

Molecular Formula

C20H25N3O (C20 H25 N3 O)

Compound Name

1,3-dimethyl-5-{[(1-phenylbutyl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

13-dimethyl-5-{[(1-phenylbutyl)amino]methyl}-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CCCC(c1ccccc1)NCc(cc1)cc(N2C)c1N(C)C2=O

InChI

InChI=1S/C20H25N3O/c1-4-8-17(16-9-6-5-7-10-16)21-14-15-11-12-18-19(13-15)23(3)20(24)22(18)2/h5-7,9-13,17,21H,4,8,14H2,1-3H3/t17-/m0/s1

InChI Key

DBENSXQUUYTFGK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD08757585

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

323.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.383

Distribution Coefficient, logD

0.637

Water Solubility, LogSw

-3.82

Polar Surface Area

29.110

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

10.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

D664-0094 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D664-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D664-0094?
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What is the minimum amount of D664-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D664-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D664-0094
  • 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 D664-0094 available by request