D170-0238 Screening compound: N-{2-[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propanamido]-4-methylphenyl}benzamide

D170-0238 Screening compound: N-{2-[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propanamido]-4-methylphenyl}benzamide
D170-0238 Screening compound: N-{2-[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propanamido]-4-methylphenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D170-0238
N-{2-[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propanamido]-4-methylphenyl}benzamide

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

D170-0238

Molecular Formula

C25H24N2O4 (C25 H24 N2 O4)

Compound Name

N-{2-[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propanamido]-4-methylphenyl}benzamide

IUPAC name

N-{2-[3-(23-dihydro-14-benzodioxin-2-yl)propanamido]-4-methylphenyl}benzamide

SMILES

Cc(cc1)cc(NC(CCC2Oc(cccc3)c3OC2)=O)c1NC(c1ccccc1)=O

InChI

InChI=1S/C25H24N2O4/c1-17-11-13-20(27-25(29)18-7-3-2-4-8-18)21(15-17)26-24(28)14-12-19-16-30-22-9-5-6-10-23(22)31-19/h2-11,13,15,19H,12,14,16H2,1H3,(H,26,28)(H,27,29)/t19-/m0/s1

InChI Key

BZTHLPWJEBAAJF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14813484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.674

Distribution Coefficient, logD

3.492

Water Solubility, LogSw

-3.83

Polar Surface Area

60.491

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D170-0238 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Antibacterial Compounds Library (13827 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D170-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D170-0238?
Check Price and Availability of D170-0238, 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 D170-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D170-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D170-0238
  • 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 D170-0238 available by request