D485-0077 Screening compound: N-{2-[(3-chlorophenyl)(morpholin-4-yl)methyl]-1-benzofuran-3-yl}furan-2-carboxamide

D485-0077 Screening compound: N-{2-[(3-chlorophenyl)(morpholin-4-yl)methyl]-1-benzofuran-3-yl}furan-2-carboxamide
D485-0077 Screening compound: N-{2-[(3-chlorophenyl)(morpholin-4-yl)methyl]-1-benzofuran-3-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D485-0077
N-{2-[(3-chlorophenyl)(morpholin-4-yl)methyl]-1-benzofuran-3-yl}furan-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

D485-0077

Molecular Formula

C24H21ClN2O4 (C24 H21 ClN2 O4)

Compound Name

N-{2-[(3-chlorophenyl)(morpholin-4-yl)methyl]-1-benzofuran-3-yl}furan-2-carboxamide

IUPAC name

N-{2-[(3-chlorophenyl)(morpholin-4-yl)methyl]-1-benzofuran-3-yl}furan-2-carboxamide

SMILES

O=C(c1ccco1)Nc1c(C(c2cccc(Cl)c2)N2CCOCC2)oc2c1cccc2

InChI

InChI=1S/C24H21ClN2O4/c25-17-6-3-5-16(15-17)22(27-10-13-29-14-11-27)23-21(18-7-1-2-8-19(18)31-23)26-24(28)20-9-4-12-30-20/h1-9,12,15,22H,10-11,13-14H2,(H,26,28)/t22-/m1/s1

InChI Key

HUWJQOWPJUWWJG-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14832067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.294

Distribution Coefficient, logD

4.293

Water Solubility, LogSw

-4.62

Polar Surface Area

49.700

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

D485-0077 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D485-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D485-0077?
Check Price and Availability of D485-0077, 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 D485-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D485-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D485-0077
  • 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 D485-0077 available by request