E466-0039 Screening compound: 4-(3-chlorophenyl)-N-{4H-chromeno[3,4-d][1,2]oxazol-3-yl}piperazine-1-carboxamide

E466-0039 Screening compound: 4-(3-chlorophenyl)-N-{4H-chromeno[3,4-d][1,2]oxazol-3-yl}piperazine-1-carboxamide
E466-0039 Screening compound: 4-(3-chlorophenyl)-N-{4H-chromeno[3,4-d][1,2]oxazol-3-yl}piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E466-0039
4-(3-chlorophenyl)-N-{4H-chromeno[3,4-d][1,2]oxazol-3-yl}piperazine-1-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

E466-0039

Molecular Formula

C21H19ClN4O3 (C21 H19 ClN4 O3)

Compound Name

4-(3-chlorophenyl)-N-{4H-chromeno[3,4-d][1,2]oxazol-3-yl}piperazine-1-carboxamide

IUPAC name

4-(3-chlorophenyl)-N-{4H-chromeno[34-d][12]oxazol-3-yl}piperazine-1-carboxamide

SMILES

O=C(Nc1noc-2c1COc1c2cccc1)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C21H19ClN4O3/c22-14-4-3-5-15(12-14)25-8-10-26(11-9-25)21(27)23-20-17-13-28-18-7-2-1-6-16(18)19(17)29-24-20/h1-7,12H,8-11,13H2,(H,23,24,27)

InChI Key

XFEXUSSZEWLNFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.039

Distribution Coefficient, logD

4.038

Water Solubility, LogSw

-4.39

Polar Surface Area

59.367

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E466-0039 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E466-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E466-0039?
Check Price and Availability of E466-0039, 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 E466-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E466-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E466-0039
  • 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 E466-0039 available by request