8018-3129 Screening compound: 2-(diethylamino)ethyl 4-{[3-(1-benzofuran-2-yl)-3-oxopropyl]amino}benzoate

8018-3129 Screening compound: 2-(diethylamino)ethyl 4-{[3-(1-benzofuran-2-yl)-3-oxopropyl]amino}benzoate
8018-3129 Screening compound: 2-(diethylamino)ethyl 4-{[3-(1-benzofuran-2-yl)-3-oxopropyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3129
2-(diethylamino)ethyl 4-{[3-(1-benzofuran-2-yl)-3-oxopropyl]amino}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

8018-3129

Molecular Formula

C24H28N2O4 (C24 H28 N2 O4)

Compound Name

2-(diethylamino)ethyl 4-{[3-(1-benzofuran-2-yl)-3-oxopropyl]amino}benzoate

IUPAC name

2-(diethylamino)ethyl 4-{[3-(1-benzofuran-2-yl)-3-oxopropyl]amino}benzoate

SMILES

CCN(CC)CCOC(c(cc1)ccc1NCCC(c1cc(cccc2)c2o1)=O)=O

InChI

InChI=1S/C24H28N2O4/c1-3-26(4-2)15-16-29-24(28)18-9-11-20(12-10-18)25-14-13-21(27)23-17-19-7-5-6-8-22(19)30-23/h5-12,17,25H,3-4,13-16H2,1-2H3

InChI Key

JWBXHOHGGGQTNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.075

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-5.20

Polar Surface Area

56.313

Acid Dissociation Constant (pKa)

19.89

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8018-3129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3129?
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What is the minimum amount of 8018-3129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3129
  • 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 8018-3129 available by request