D491-8199 Screening compound: 5-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

D491-8199 Screening compound: 5-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
D491-8199 Screening compound: 5-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-8199
5-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-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

D491-8199

Molecular Formula

C21H22BrN3O3 (C21 H22 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(CNC(c2noc(-c(cc3)ccc3Br)c2)=O)N2CCCC2)o1

InChI

InChI=1S/C21H22BrN3O3/c1-14-4-9-19(27-14)18(25-10-2-3-11-25)13-23-21(26)17-12-20(28-24-17)15-5-7-16(22)8-6-15/h4-9,12,18H,2-3,10-11,13H2,1H3,(H,23,26)/t18-/m0/s1

InChI Key

SBHCXIULMJRJDZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14832736

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

444.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

3.281

Water Solubility, LogSw

-4.20

Polar Surface Area

57.635

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D491-8199 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D491-8199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-8199?
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What is the minimum amount of D491-8199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-8199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-8199
  • 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 D491-8199 available by request