D044-0111 Screening compound: ethyl N-{1-methyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}carbamate

D044-0111 Screening compound: ethyl N-{1-methyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}carbamate
D044-0111 Screening compound: ethyl N-{1-methyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0111
ethyl N-{1-methyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}carbamate

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

D044-0111

Molecular Formula

C16H22N4O3 (C16 H22 N4 O3)

Compound Name

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

IUPAC name

ethyl N-{1-methyl-2-[(morpholin-4-yl)methyl]-1H-13-benzodiazol-5-yl}carbamate

SMILES

CCOC(Nc(cc1)cc2c1n(C)c(CN1CCOCC1)n2)=O

InChI

InChI=1S/C16H22N4O3/c1-3-23-16(21)17-12-4-5-14-13(10-12)18-15(19(14)2)11-20-6-8-22-9-7-20/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,21)

InChI Key

GABNTBQYCRZXHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.540

Distribution Coefficient, logD

1.534

Water Solubility, LogSw

-2.31

Polar Surface Area

55.310

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D044-0111 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D044-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0111?
Check Price and Availability of D044-0111, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D044-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0111
  • 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 D044-0111 available by request