D491-7260 Screening compound: 5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

D491-7260 Screening compound: 5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
D491-7260 Screening compound: 5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-7260
5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole-3-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

D491-7260

Molecular Formula

C21H23BrN4O3 (C21 H23 BrN4 O3)

Compound Name

5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-12-oxazole-3-carboxamide

SMILES

CN(CC1)CCN1C(CNC(c1noc(-c(cc2)ccc2Br)c1)=O)c1ccco1

InChI

InChI=1S/C21H23BrN4O3/c1-25-8-10-26(11-9-25)18(19-3-2-12-28-19)14-23-21(27)17-13-20(29-24-17)15-4-6-16(22)7-5-15/h2-7,12-13,18H,8-11,14H2,1H3,(H,23,27)/t18-/m0/s1

InChI Key

LCMXBMCDASWHHC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14832588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.283

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-3.45

Polar Surface Area

61.231

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D491-7260 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D491-7260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-7260?
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What is the minimum amount of D491-7260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-7260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-7260
  • 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 D491-7260 available by request