D277-1823 Screening compound: 2-({3-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propyl}sulfanyl)-1H-1,3-benzodiazole

D277-1823 Screening compound: 2-({3-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propyl}sulfanyl)-1H-1,3-benzodiazole
D277-1823 Screening compound: 2-({3-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propyl}sulfanyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D277-1823
2-({3-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propyl}sulfanyl)-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

D277-1823

Molecular Formula

C20H22N2O2S (C20 H22 N2 O2 S)

Compound Name

2-({3-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propyl}sulfanyl)-1H-1,3-benzodiazole

IUPAC name

2-({3-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propyl}sulfanyl)-1H-13-benzodiazole

SMILES

COc(cc(CC=C)cc1)c1OCCCSc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C20H22N2O2S/c1-3-7-15-10-11-18(19(14-15)23-2)24-12-6-13-25-20-21-16-8-4-5-9-17(16)22-20/h3-5,8-11,14H,1,6-7,12-13H2,2H3,(H,21,22)

InChI Key

SNRLCFIROHDBCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12961978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.480

Distribution Coefficient, logD

4.478

Water Solubility, LogSw

-4.38

Polar Surface Area

33.115

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D277-1823 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D277-1823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D277-1823?
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What is the minimum amount of D277-1823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D277-1823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D277-1823
  • 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 D277-1823 available by request