7840-2991 Screening compound: N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide

7840-2991 Screening compound: N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide
7840-2991 Screening compound: N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-2991
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide

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

7840-2991

Molecular Formula

C22H16Cl2N2O2 (C22 H16 Cl2 N2 O2)

Compound Name

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

IUPAC name

N-[4-chloro-3-(5-chloro-13-benzoxazol-2-yl)phenyl]-4-ethylbenzamide

SMILES

CCc(cc1)ccc1C(Nc(cc1)cc(-c2nc(cc(cc3)Cl)c3o2)c1Cl)=O

InChI

InChI=1S/C22H16Cl2N2O2/c1-2-13-3-5-14(6-4-13)21(27)25-16-8-9-18(24)17(12-16)22-26-19-11-15(23)7-10-20(19)28-22/h3-12H,2H2,1H3,(H,25,27)

InChI Key

YIIFZNAWORAQAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05850408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.656

Distribution Coefficient, logD

6.655

Water Solubility, LogSw

-6.31

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 7840-2991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-2991?
Check Price and Availability of 7840-2991, 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 7840-2991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-2991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-2991
  • 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 7840-2991 available by request