2785-0351 Screening compound: 4-(4-chlorophenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

2785-0351 Screening compound: 4-(4-chlorophenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
2785-0351 Screening compound: 4-(4-chlorophenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2785-0351
4-(4-chlorophenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-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

2785-0351

Molecular Formula

C18H16ClN3OS (C18 H16 ClN3 OS)

Compound Name

4-(4-chlorophenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

4-(4-chlorophenyl)-6-methyl-N-phenyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c(cc2)ccc2Cl)=S)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C18H16ClN3OS/c1-11-15(17(23)21-14-5-3-2-4-6-14)16(22-18(24)20-11)12-7-9-13(19)10-8-12/h2-10,16H,1H3,(H,21,23)(H2,20,22,24)/t16-/m0/s1

InChI Key

CMKKNQJDFFMZLI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00974749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

3.360

Water Solubility, LogSw

-3.97

Polar Surface Area

45.765

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 2785-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2785-0351?
Check Price and Availability of 2785-0351, 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 2785-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2785-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2785-0351
  • 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 2785-0351 available by request