3875-0257 Screening compound: N-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-4-(2-methylpropoxy)benzamide

3875-0257 Screening compound: N-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-4-(2-methylpropoxy)benzamide
3875-0257 Screening compound: N-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-4-(2-methylpropoxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3875-0257
N-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-4-(2-methylpropoxy)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

3875-0257

Molecular Formula

C21H25NO3 (C21 H25 NO3)

Compound Name

N-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-4-(2-methylpropoxy)benzamide

IUPAC name

N-[(34-dihydro-1H-2-benzopyran-1-yl)methyl]-4-(2-methylpropoxy)benzamide

SMILES

CC(C)COc(cc1)ccc1C(NCC1OCCc2c1cccc2)=O

InChI

InChI=1S/C21H25NO3/c1-15(2)14-25-18-9-7-17(8-10-18)21(23)22-13-20-19-6-4-3-5-16(19)11-12-24-20/h3-10,15,20H,11-14H2,1-2H3,(H,22,23)/t20-/m0/s1

InChI Key

SKRBSBYKNYQNDR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01897646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.19

Polar Surface Area

40.783

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

3875-0257 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3875-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3875-0257?
Check Price and Availability of 3875-0257, 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 3875-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3875-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3875-0257
  • 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 3875-0257 available by request