D170-0232 Screening compound: 4-[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propanamido]benzoic acid

D170-0232 Screening compound: 4-[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propanamido]benzoic acid
D170-0232 Screening compound: 4-[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propanamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D170-0232
4-[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propanamido]benzoic acid

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

D170-0232

Molecular Formula

C18H17NO5 (C18 H17 NO5)

Compound Name

4-[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propanamido]benzoic acid

IUPAC name

4-[3-(23-dihydro-14-benzodioxin-2-yl)propanamido]benzoic acid

SMILES

OC(c(cc1)ccc1NC(CCC1Oc(cccc2)c2OC1)=O)=O

InChI

InChI=1S/C18H17NO5/c20-17(19-13-7-5-12(6-8-13)18(21)22)10-9-14-11-23-15-3-1-2-4-16(15)24-14/h1-8,14H,9-11H2,(H,19,20)(H,21,22)/t14-/m0/s1

InChI Key

IVUYPNUFWGRCKV-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07640000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.883

Distribution Coefficient, logD

0.487

Water Solubility, LogSw

-3.55

Polar Surface Area

67.204

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D170-0232 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SH2 Library (10483 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • PPI modulators
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with D170-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D170-0232?
Check Price and Availability of D170-0232, 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 D170-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D170-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D170-0232
  • 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 D170-0232 available by request