D507-0118 Screening compound: N-{[4-(diethylamino)phenyl]methyl}-3,4,6-trimethyl-N-(pyridin-2-yl)-1-benzofuran-2-carboxamide

D507-0118 Screening compound: N-{[4-(diethylamino)phenyl]methyl}-3,4,6-trimethyl-N-(pyridin-2-yl)-1-benzofuran-2-carboxamide
D507-0118 Screening compound: N-{[4-(diethylamino)phenyl]methyl}-3,4,6-trimethyl-N-(pyridin-2-yl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D507-0118
N-{[4-(diethylamino)phenyl]methyl}-3,4,6-trimethyl-N-(pyridin-2-yl)-1-benzofuran-2-carboxamide

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

D507-0118

Molecular Formula

C28H31N3O2 (C28 H31 N3 O2)

Compound Name

N-{[4-(diethylamino)phenyl]methyl}-3,4,6-trimethyl-N-(pyridin-2-yl)-1-benzofuran-2-carboxamide

IUPAC name

N-{[4-(diethylamino)phenyl]methyl}-346-trimethyl-N-(pyridin-2-yl)-1-benzofuran-2-carboxamide

SMILES

CCN(CC)c1ccc(CN(C(c2c(C)c(c(C)cc(C)c3)c3o2)=O)c2ncccc2)cc1

InChI

InChI=1S/C28H31N3O2/c1-6-30(7-2)23-13-11-22(12-14-23)18-31(25-10-8-9-15-29-25)28(32)27-21(5)26-20(4)16-19(3)17-24(26)33-27/h8-17H,6-7,18H2,1-5H3

InChI Key

YLKFMVXKLBBQCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18077999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.893

Distribution Coefficient, logD

6.589

Water Solubility, LogSw

-5.84

Polar Surface Area

35.363

Acid Dissociation Constant (pKa)

23.89

Base Dissociation Constant (pKb)

9.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D507-0118 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 D507-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D507-0118?
Check Price and Availability of D507-0118, 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 D507-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D507-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D507-0118
  • 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 D507-0118 available by request