3029-2416 Screening compound: N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-(propan-2-yl)benzamide

3029-2416 Screening compound: N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-(propan-2-yl)benzamide
3029-2416 Screening compound: N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3029-2416
N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-(propan-2-yl)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

3029-2416

Molecular Formula

C25H23ClN2O2 (C25 H23 ClN2 O2)

Compound Name

N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-(propan-2-yl)benzamide

IUPAC name

N-[4-chloro-3-(5-ethyl-13-benzoxazol-2-yl)phenyl]-4-(propan-2-yl)benzamide

SMILES

CCc(cc1)cc2c1oc(-c(cc(cc1)NC(c3ccc(C(C)C)cc3)=O)c1Cl)n2

InChI

InChI=1S/C25H23ClN2O2/c1-4-16-5-12-23-22(13-16)28-25(30-23)20-14-19(10-11-21(20)26)27-24(29)18-8-6-17(7-9-18)15(2)3/h5-15H,4H2,1-3H3,(H,27,29)

InChI Key

LWMWSFRMRHJTEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02043215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.270

Distribution Coefficient, logD

7.269

Water Solubility, LogSw

-6.45

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3029-2416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3029-2416?
Check Price and Availability of 3029-2416, 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 3029-2416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3029-2416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3029-2416
  • 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 3029-2416 available by request