J077-1041 Screening compound: N-tert-butyl-3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

J077-1041 Screening compound: N-tert-butyl-3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
J077-1041 Screening compound: N-tert-butyl-3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-1041
N-tert-butyl-3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

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

J077-1041

Molecular Formula

C22H26FN3O2 (C22 H26 FN3 O2)

Compound Name

N-tert-butyl-3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

IUPAC name

N-tert-butyl-3-{3-[(2-fluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}benzamide

SMILES

CC(C)(C)NC(c1cccc(N(CCCN2Cc(cccc3)c3F)C2=O)c1)=O

InChI

InChI=1S/C22H26FN3O2/c1-22(2,3)24-20(27)16-9-6-10-18(14-16)26-13-7-12-25(21(26)28)15-17-8-4-5-11-19(17)23/h4-6,8-11,14H,7,12-13,15H2,1-3H3,(H,24,27)

InChI Key

STWVKBQSOCLERG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

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

4.202

Distribution Coefficient, logD

4.202

Water Solubility, LogSw

-4.22

Polar Surface Area

43.306

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with J077-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-1041?
Check Price and Availability of J077-1041, 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 J077-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-1041
  • 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 J077-1041 available by request