7828-0174 Screening compound: N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}butanamide

7828-0174 Screening compound: N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}butanamide
7828-0174 Screening compound: N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7828-0174
N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}butanamide

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

7828-0174

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}butanamide

IUPAC name

N-{2-methoxy-5-[5-(propan-2-yl)-13-benzoxazol-2-yl]phenyl}butanamide

SMILES

CCCC(Nc(cc(cc1)-c2nc(cc(C(C)C)cc3)c3o2)c1OC)=O

InChI

InChI=1S/C21H24N2O3/c1-5-6-20(24)22-16-12-15(8-9-18(16)25-4)21-23-17-11-14(13(2)3)7-10-19(17)26-21/h7-13H,5-6H2,1-4H3,(H,22,24)

InChI Key

USOLUOFUAGCYPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04216438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.772

Distribution Coefficient, logD

4.772

Water Solubility, LogSw

-4.49

Polar Surface Area

47.131

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

7828-0174 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 7828-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7828-0174?
Check Price and Availability of 7828-0174, 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 7828-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7828-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7828-0174
  • 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 7828-0174 available by request