K788-3272 Screening compound: N-(3-chloro-4-fluorophenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide

K788-3272 Screening compound: N-(3-chloro-4-fluorophenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide
K788-3272 Screening compound: N-(3-chloro-4-fluorophenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3272
N-(3-chloro-4-fluorophenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide

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

K788-3272

Molecular Formula

C18H18Cl2FN3S (C18 H18 Cl2 FN3 S)

Compound Name

N-(3-chloro-4-fluorophenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-3-[(2-chlorophenyl)methyl]-13-diazinane-1-carbothioamide

SMILES

Fc(ccc(NC(N1CN(Cc(cccc2)c2Cl)CCC1)=S)c1)c1Cl

InChI

InChI=1S/C18H18Cl2FN3S/c19-15-5-2-1-4-13(15)11-23-8-3-9-24(12-23)18(25)22-14-6-7-17(21)16(20)10-14/h1-2,4-7,10H,3,8-9,11-12H2,(H,22,25)

InChI Key

QIFSRDMZXOJDHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.346

Distribution Coefficient, logD

5.309

Water Solubility, LogSw

-6.12

Polar Surface Area

15.417

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

K788-3272 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with K788-3272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3272?
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What is the minimum amount of K788-3272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3272
  • 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 K788-3272 available by request