E613-1099 Screening compound: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one

E613-1099 Screening compound: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one
E613-1099 Screening compound: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-1099
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one

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

E613-1099

Molecular Formula

C21H22ClN3O4 (C21 H22 ClN3 O4)

Compound Name

1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one

IUPAC name

1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-12-oxazol-3-yl]methoxy}ethan-1-one

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(COCc1noc(-c2ccco2)c1)=O

InChI

InChI=1S/C21H22ClN3O4/c1-15-4-5-16(22)11-18(15)24-6-8-25(9-7-24)21(26)14-27-13-17-12-20(29-23-17)19-3-2-10-28-19/h2-5,10-12H,6-9,13-14H2,1H3

InChI Key

HAMCFDHBQKQCRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.483

Distribution Coefficient, logD

3.483

Water Solubility, LogSw

-3.65

Polar Surface Area

58.362

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E613-1099 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E613-1099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-1099?
Check Price and Availability of E613-1099, 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 E613-1099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-1099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-1099
  • 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 E613-1099 available by request