D307-0057 Screening compound: 5-chloro-N-[2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

D307-0057 Screening compound: 5-chloro-N-[2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
D307-0057 Screening compound: 5-chloro-N-[2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D307-0057
5-chloro-N-[2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethyl]-3,6-dimethyl-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

D307-0057

Molecular Formula

C24H27ClN2O4 (C24 H27 ClN2 O4)

Compound Name

5-chloro-N-[2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

IUPAC name

5-chloro-N-[2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethyl]-36-dimethyl-1-benzofuran-2-carboxamide

SMILES

Cc(c1c2)c(C(NCC(c(cc3)ccc3OC)N3CCOCC3)=O)oc1cc(C)c2Cl

InChI

InChI=1S/C24H27ClN2O4/c1-15-12-22-19(13-20(15)25)16(2)23(31-22)24(28)26-14-21(27-8-10-30-11-9-27)17-4-6-18(29-3)7-5-17/h4-7,12-13,21H,8-11,14H2,1-3H3,(H,26,28)/t21-/m0/s1

InChI Key

LUVKRAZTUPEIKQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD08549681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.906

Distribution Coefficient, logD

4.905

Water Solubility, LogSw

-5.06

Polar Surface Area

51.619

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D307-0057 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D307-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D307-0057?
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What is the minimum amount of D307-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D307-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D307-0057
  • 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 D307-0057 available by request