D038-0788 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide

D038-0788 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide
D038-0788 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-0788
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide

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

D038-0788

Molecular Formula

C23H27NO4 (C23 H27 NO4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide

SMILES

CC(C)c(cc1)cc2c1occ2CC(NCCc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C23H27NO4/c1-15(2)17-6-8-20-19(12-17)18(14-28-20)13-23(25)24-10-9-16-5-7-21(26-3)22(11-16)27-4/h5-8,11-12,14-15H,9-10,13H2,1-4H3,(H,24,25)

InChI Key

ZXINYEZPKHXERC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.630

Distribution Coefficient, logD

3.630

Water Solubility, LogSw

-3.92

Polar Surface Area

49.100

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D038-0788 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D038-0788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-0788?
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What is the minimum amount of D038-0788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-0788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-0788
  • 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 D038-0788 available by request