D491-6982 Screening compound: 4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

D491-6982 Screening compound: 4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
D491-6982 Screening compound: 4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-6982
4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]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

D491-6982

Molecular Formula

C18H22BrN3O2 (C18 H22 BrN3 O2)

Compound Name

4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

IUPAC name

4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

SMILES

CN(CC1)CCN1C(CNC(c(cc1)ccc1Br)=O)c1ccco1

InChI

InChI=1S/C18H22BrN3O2/c1-21-8-10-22(11-9-21)16(17-3-2-12-24-17)13-20-18(23)14-4-6-15(19)7-5-14/h2-7,12,16H,8-11,13H2,1H3,(H,20,23)/t16-/m0/s1

InChI Key

XIBXRJMVLLWQOQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14832580

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

392.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.395

Distribution Coefficient, logD

1.915

Water Solubility, LogSw

-2.63

Polar Surface Area

39.696

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

D491-6982 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D491-6982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-6982?
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What is the minimum amount of D491-6982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-6982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-6982
  • 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 D491-6982 available by request