K788-5988 Screening compound: 2-{3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(4-chlorophenyl)methyl]acetamide

K788-5988 Screening compound: 2-{3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(4-chlorophenyl)methyl]acetamide
K788-5988 Screening compound: 2-{3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(4-chlorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5988
2-{3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(4-chlorophenyl)methyl]acetamide

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

K788-5988

Molecular Formula

C20H20Cl2FN3O2 (C20 H20 Cl2 FN3 O2)

Compound Name

2-{3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[(4-chlorophenyl)methyl]acetamide

IUPAC name

2-{3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}-N-[(4-chlorophenyl)methyl]acetamide

SMILES

O=C(CN(CCCN1Cc(ccc(F)c2)c2Cl)C1=O)NCc(cc1)ccc1Cl

InChI

InChI=1S/C20H20Cl2FN3O2/c21-16-5-2-14(3-6-16)11-24-19(27)13-26-9-1-8-25(20(26)28)12-15-4-7-17(23)10-18(15)22/h2-7,10H,1,8-9,11-13H2,(H,24,27)

InChI Key

WHQZTXMZFIYHKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.3

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

4.057

Distribution Coefficient, logD

4.057

Water Solubility, LogSw

-4.30

Polar Surface Area

44.714

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with K788-5988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5988?
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What is the minimum amount of K788-5988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5988
  • 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 K788-5988 available by request