D305-1610 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-{1-ethyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide

D305-1610 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-{1-ethyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide
D305-1610 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-{1-ethyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-1610
2-(4-chloro-3-methylphenoxy)-N-{1-ethyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide

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

D305-1610

Molecular Formula

C23H27ClN4O3 (C23 H27 ClN4 O3)

Compound Name

2-(4-chloro-3-methylphenoxy)-N-{1-ethyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide

IUPAC name

2-(4-chloro-3-methylphenoxy)-N-{1-ethyl-2-[(morpholin-4-yl)methyl]-1H-13-benzodiazol-5-yl}acetamide

SMILES

CCn1c(ccc(NC(COc(cc2)cc(C)c2Cl)=O)c2)c2nc1CN1CCOCC1

InChI

InChI=1S/C23H27ClN4O3/c1-3-28-21-7-4-17(13-20(21)26-22(28)14-27-8-10-30-11-9-27)25-23(29)15-31-18-5-6-19(24)16(2)12-18/h4-7,12-13H,3,8-11,14-15H2,1-2H3,(H,25,29)

InChI Key

OVZJFMMBLSHRPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11855511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.150

Distribution Coefficient, logD

4.147

Water Solubility, LogSw

-4.29

Polar Surface Area

53.158

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D305-1610 in Drug Discovery

Included in Screening Libraries

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 D305-1610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-1610?
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What is the minimum amount of D305-1610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-1610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-1610
  • 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 D305-1610 available by request