K783-5175 Screening compound: 3-benzyl-N-(3-chloro-4-methoxyphenyl)-1,3-diazinane-1-carbothioamide

K783-5175 Screening compound: 3-benzyl-N-(3-chloro-4-methoxyphenyl)-1,3-diazinane-1-carbothioamide
K783-5175 Screening compound: 3-benzyl-N-(3-chloro-4-methoxyphenyl)-1,3-diazinane-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-5175
3-benzyl-N-(3-chloro-4-methoxyphenyl)-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

K783-5175

Molecular Formula

C19H22ClN3OS (C19 H22 ClN3 OS)

Compound Name

3-benzyl-N-(3-chloro-4-methoxyphenyl)-1,3-diazinane-1-carbothioamide

IUPAC name

3-benzyl-N-(3-chloro-4-methoxyphenyl)-13-diazinane-1-carbothioamide

SMILES

COc(ccc(NC(N1CN(Cc2ccccc2)CCC1)=S)c1)c1Cl

InChI

InChI=1S/C19H22ClN3OS/c1-24-18-9-8-16(12-17(18)20)21-19(25)23-11-5-10-22(14-23)13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,21,25)

InChI Key

VPCUVJUGRAMKGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.92

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

4.489

Distribution Coefficient, logD

4.368

Water Solubility, LogSw

-4.55

Polar Surface Area

23.047

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with K783-5175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-5175?
Check Price and Availability of K783-5175, 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 K783-5175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-5175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-5175
  • 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 K783-5175 available by request