C798-0914 Screening compound: N-benzyl-5-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide

C798-0914 Screening compound: N-benzyl-5-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
C798-0914 Screening compound: N-benzyl-5-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0914
N-benzyl-5-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)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

C798-0914

Molecular Formula

C20H18N2O2S (C20 H18 N2 O2 S)

Compound Name

N-benzyl-5-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide

IUPAC name

N-benzyl-5-(34-dihydro-2H-14-benzoxazin-4-yl)thiophene-2-carboxamide

SMILES

O=C(c1ccc(N2c(cccc3)c3OCC2)s1)NCc1ccccc1

InChI

InChI=1S/C20H18N2O2S/c23-20(21-14-15-6-2-1-3-7-15)18-10-11-19(25-18)22-12-13-24-17-9-5-4-8-16(17)22/h1-11H,12-14H2,(H,21,23)

InChI Key

UIIQNIPXYIJZQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.386

Distribution Coefficient, logD

4.386

Water Solubility, LogSw

-4.31

Polar Surface Area

36.090

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with C798-0914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0914?
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What is the minimum amount of C798-0914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0914
  • 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 C798-0914 available by request