K788-3792 Screening compound: N-(4-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide

K788-3792 Screening compound: N-(4-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide
K788-3792 Screening compound: N-(4-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3792
N-(4-chloro-2-methoxyphenyl)-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

K788-3792

Molecular Formula

C19H21Cl2N3OS (C19 H21 Cl2 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(cc1)Cl)c1NC(N1CN(Cc(cccc2)c2Cl)CCC1)=S

InChI

InChI=1S/C19H21Cl2N3OS/c1-25-18-11-15(20)7-8-17(18)22-19(26)24-10-4-9-23(13-24)12-14-5-2-3-6-16(14)21/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,22,26)

InChI Key

JYJFJPGEECDBJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.618

Distribution Coefficient, logD

5.581

Water Solubility, LogSw

-5.92

Polar Surface Area

22.350

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with K788-3792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3792?
Check Price and Availability of K788-3792, 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 K788-3792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3792
  • 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 K788-3792 available by request