D411-1067 Screening compound: N-(3-{[4-(pyridin-2-yl)piperazin-1-yl](pyridin-4-yl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide

D411-1067 Screening compound: N-(3-{[4-(pyridin-2-yl)piperazin-1-yl](pyridin-4-yl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
D411-1067 Screening compound: N-(3-{[4-(pyridin-2-yl)piperazin-1-yl](pyridin-4-yl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D411-1067
N-(3-{[4-(pyridin-2-yl)piperazin-1-yl](pyridin-4-yl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-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

D411-1067

Molecular Formula

C28H29N5O2S (C28 H29 N5 O2 S)

Compound Name

N-(3-{[4-(pyridin-2-yl)piperazin-1-yl](pyridin-4-yl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide

IUPAC name

N-(3-{[4-(pyridin-2-yl)piperazin-1-yl](pyridin-4-yl)methyl}-4567-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide

SMILES

O=C(c1ccco1)Nc1c(C(c2ccncc2)N(CC2)CCN2c2ncccc2)c(CCCC2)c2s1

InChI

InChI=1S/C28H29N5O2S/c34-27(22-7-5-19-35-22)31-28-25(21-6-1-2-8-23(21)36-28)26(20-10-13-29-14-11-20)33-17-15-32(16-18-33)24-9-3-4-12-30-24/h3-5,7,9-14,19,26H,1-2,6,8,15-18H2,(H,31,34)/t26-/m1/s1

InChI Key

IJJWSCAYAARLCN-AREMUKBSSA-N

MDL Number (MFCD)

MFCD09540573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.868

Distribution Coefficient, logD

4.720

Water Solubility, LogSw

-4.63

Polar Surface Area

55.576

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

6.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

D411-1067 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D411-1067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D411-1067?
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What is the minimum amount of D411-1067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D411-1067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D411-1067
  • 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 D411-1067 available by request