D011-3763 Screening compound: 1-(2-ethoxyethyl)-2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,3-benzodiazole

D011-3763 Screening compound: 1-(2-ethoxyethyl)-2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,3-benzodiazole
D011-3763 Screening compound: 1-(2-ethoxyethyl)-2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-3763
1-(2-ethoxyethyl)-2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,3-benzodiazole

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

D011-3763

Molecular Formula

C23H30N2O (C23 H30 N2 O)

Compound Name

1-(2-ethoxyethyl)-2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,3-benzodiazole

IUPAC name

1-(2-ethoxyethyl)-2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-13-benzodiazole

SMILES

CCOCCn1c(cccc2)c2nc1C(C)c1ccc(CC(C)C)cc1

InChI

InChI=1S/C23H30N2O/c1-5-26-15-14-25-22-9-7-6-8-21(22)24-23(25)18(4)20-12-10-19(11-13-20)16-17(2)3/h6-13,17-18H,5,14-16H2,1-4H3/t18-/m1/s1

InChI Key

BGEPWSAKBJXPKV-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03669542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.462

Distribution Coefficient, logD

6.461

Water Solubility, LogSw

-5.94

Polar Surface Area

18.123

Acid Dissociation Constant (pKa)

24.72

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

D011-3763 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D011-3763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-3763?
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What is the minimum amount of D011-3763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-3763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-3763
  • 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 D011-3763 available by request