K788-5109 Screening compound: N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide

K788-5109 Screening compound: N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide
K788-5109 Screening compound: N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5109
N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-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

K788-5109

Molecular Formula

C20H24FN3O2 (C20 H24 FN3 O2)

Compound Name

N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide

IUPAC name

N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-13-diazinane-1-carboxamide

SMILES

CCOc(cc1)ccc1NC(N1CN(Cc(cc2)ccc2F)CCC1)=O

InChI

InChI=1S/C20H24FN3O2/c1-2-26-19-10-8-18(9-11-19)22-20(25)24-13-3-12-23(15-24)14-16-4-6-17(21)7-5-16/h4-11H,2-3,12-15H2,1H3,(H,22,25)

InChI Key

VTEQALOKIVBAGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.747

Distribution Coefficient, logD

3.727

Water Solubility, LogSw

-3.81

Polar Surface Area

37.111

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K788-5109 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K788-5109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5109?
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What is the minimum amount of K788-5109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5109
  • 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 K788-5109 available by request