C798-0925 Screening compound: 5-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

C798-0925 Screening compound: 5-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
C798-0925 Screening compound: 5-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0925
5-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-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

C798-0925

Molecular Formula

C21H20N2O3S (C21 H20 N2 O3 S)

Compound Name

5-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

IUPAC name

5-(34-dihydro-2H-14-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

SMILES

COc1ccc(CNC(c2ccc(N3c(cccc4)c4OCC3)s2)=O)cc1

InChI

InChI=1S/C21H20N2O3S/c1-25-16-8-6-15(7-9-16)14-22-21(24)19-10-11-20(27-19)23-12-13-26-18-5-3-2-4-17(18)23/h2-11H,12-14H2,1H3,(H,22,24)

InChI Key

OTPJLIYFTSQPJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.369

Distribution Coefficient, logD

4.369

Water Solubility, LogSw

-4.22

Polar Surface Area

43.634

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C798-0925 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C798-0925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0925?
Check Price and Availability of C798-0925, 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 C798-0925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0925
  • 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 C798-0925 available by request