4402-0699 Screening compound: N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide

4402-0699 Screening compound: N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
4402-0699 Screening compound: N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4402-0699
N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide

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

4402-0699

Molecular Formula

C23H18Cl2N2O5 (C23 H18 Cl2 N2 O5)

Compound Name

N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[4-(57-dichloro-13-benzoxazol-2-yl)phenyl]-345-trimethoxybenzamide

SMILES

COc1cc(C(Nc(cc2)ccc2-c2nc3cc(Cl)cc(Cl)c3o2)=O)cc(OC)c1OC

InChI

InChI=1S/C23H18Cl2N2O5/c1-29-18-8-13(9-19(30-2)21(18)31-3)22(28)26-15-6-4-12(5-7-15)23-27-17-11-14(24)10-16(25)20(17)32-23/h4-11H,1-3H3,(H,26,28)

InChI Key

VQMKXXJCHHCOOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03141793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.241

Distribution Coefficient, logD

5.241

Water Solubility, LogSw

-5.89

Polar Surface Area

63.351

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 4402-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4402-0699?
Check Price and Availability of 4402-0699, 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 4402-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4402-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4402-0699
  • 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 4402-0699 available by request