D170-0237 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(4-acetamido-3-methylphenyl)propanamide

D170-0237 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(4-acetamido-3-methylphenyl)propanamide
D170-0237 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(4-acetamido-3-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D170-0237
3-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(4-acetamido-3-methylphenyl)propanamide

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

D170-0237

Molecular Formula

C20H22N2O4 (C20 H22 N2 O4)

Compound Name

3-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(4-acetamido-3-methylphenyl)propanamide

IUPAC name

3-(23-dihydro-14-benzodioxin-2-yl)-N-(4-acetamido-3-methylphenyl)propanamide

SMILES

CC(Nc(cc1)c(C)cc1NC(CCC1Oc(cccc2)c2OC1)=O)=O

InChI

InChI=1S/C20H22N2O4/c1-13-11-15(7-9-17(13)21-14(2)23)22-20(24)10-8-16-12-25-18-5-3-4-6-19(18)26-16/h3-7,9,11,16H,8,10,12H2,1-2H3,(H,21,23)(H,22,24)/t16-/m0/s1

InChI Key

GRPUVAURZWIPKY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14813483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.092

Distribution Coefficient, logD

2.092

Water Solubility, LogSw

-2.77

Polar Surface Area

61.360

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D170-0237 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D170-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D170-0237?
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What is the minimum amount of D170-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D170-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D170-0237
  • 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 D170-0237 available by request