D485-1400 Screening compound: 4-methyl-N-{2-[(4-methylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl]-1-benzofuran-3-yl}benzamide

D485-1400 Screening compound: 4-methyl-N-{2-[(4-methylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl]-1-benzofuran-3-yl}benzamide
D485-1400 Screening compound: 4-methyl-N-{2-[(4-methylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl]-1-benzofuran-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D485-1400
4-methyl-N-{2-[(4-methylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl]-1-benzofuran-3-yl}benzamide

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

D485-1400

Molecular Formula

C29H31N3O2S (C29 H31 N3 O2 S)

Compound Name

4-methyl-N-{2-[(4-methylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl]-1-benzofuran-3-yl}benzamide

IUPAC name

4-methyl-N-{2-[(4-methylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl]-1-benzofuran-3-yl}benzamide

SMILES

Cc(cc1)ccc1C(Nc1c(C(c(cc2)ccc2SC)N2CCN(C)CC2)oc2c1cccc2)=O

InChI

InChI=1S/C29H31N3O2S/c1-20-8-10-22(11-9-20)29(33)30-26-24-6-4-5-7-25(24)34-28(26)27(32-18-16-31(2)17-19-32)21-12-14-23(35-3)15-13-21/h4-15,27H,16-19H2,1-3H3,(H,30,33)/t27-/m1/s1

InChI Key

UDJCJCBUTYUQNQ-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD14832213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.498

Distribution Coefficient, logD

4.903

Water Solubility, LogSw

-5.67

Polar Surface Area

36.690

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

D485-1400 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D485-1400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D485-1400?
Check Price and Availability of D485-1400, 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 D485-1400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D485-1400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D485-1400
  • 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 D485-1400 available by request