D038-0768 Screening compound: butyl 4-{2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamido}benzoate

D038-0768 Screening compound: butyl 4-{2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamido}benzoate
D038-0768 Screening compound: butyl 4-{2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-0768
butyl 4-{2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamido}benzoate

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

D038-0768

Molecular Formula

C24H27NO4 (C24 H27 NO4)

Compound Name

butyl 4-{2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamido}benzoate

IUPAC name

butyl 4-{2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamido}benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(Cc1coc2c1cc(C(C)C)cc2)=O)=O

InChI

InChI=1S/C24H27NO4/c1-4-5-12-28-24(27)17-6-9-20(10-7-17)25-23(26)14-19-15-29-22-11-8-18(16(2)3)13-21(19)22/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H,25,26)

InChI Key

NYRSBAJHGMXMFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.262

Distribution Coefficient, logD

6.261

Water Solubility, LogSw

-5.54

Polar Surface Area

53.724

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D038-0768 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 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 D038-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-0768?
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What is the minimum amount of D038-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-0768
  • 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 D038-0768 available by request