D485-0591 Screening compound: N-{2-[(4-ethylpiperazin-1-yl)(4-methylphenyl)methyl]-1-benzofuran-3-yl}thiophene-2-carboxamide

D485-0591 Screening compound: N-{2-[(4-ethylpiperazin-1-yl)(4-methylphenyl)methyl]-1-benzofuran-3-yl}thiophene-2-carboxamide
D485-0591 Screening compound: N-{2-[(4-ethylpiperazin-1-yl)(4-methylphenyl)methyl]-1-benzofuran-3-yl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D485-0591
N-{2-[(4-ethylpiperazin-1-yl)(4-methylphenyl)methyl]-1-benzofuran-3-yl}thiophene-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

D485-0591

Molecular Formula

C27H29N3O2S (C27 H29 N3 O2 S)

Compound Name

N-{2-[(4-ethylpiperazin-1-yl)(4-methylphenyl)methyl]-1-benzofuran-3-yl}thiophene-2-carboxamide

IUPAC name

N-{2-[(4-ethylpiperazin-1-yl)(4-methylphenyl)methyl]-1-benzofuran-3-yl}thiophene-2-carboxamide

SMILES

CCN(CC1)CCN1C(c(oc1c2cccc1)c2NC(c1cccs1)=O)c1ccc(C)cc1

InChI

InChI=1S/C27H29N3O2S/c1-3-29-14-16-30(17-15-29)25(20-12-10-19(2)11-13-20)26-24(21-7-4-5-8-22(21)32-26)28-27(31)23-9-6-18-33-23/h4-13,18,25H,3,14-17H2,1-2H3,(H,28,31)/t25-/m1/s1

InChI Key

WGMXPGZVVDZXST-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14832115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.036

Distribution Coefficient, logD

4.322

Water Solubility, LogSw

-4.67

Polar Surface Area

37.768

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

8.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

D485-0591 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D485-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D485-0591?
Check Price and Availability of D485-0591, 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 D485-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D485-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D485-0591
  • 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 D485-0591 available by request