V026-9972 Screening compound: 4-(2-chlorophenyl)-N,N,1-triethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

V026-9972 Screening compound: 4-(2-chlorophenyl)-N,N,1-triethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
V026-9972 Screening compound: 4-(2-chlorophenyl)-N,N,1-triethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-9972
4-(2-chlorophenyl)-N,N,1-triethyl-6-methyl-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

V026-9972

Molecular Formula

C18H24ClN3OS (C18 H24 ClN3 OS)

Compound Name

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

IUPAC name

4-(2-chlorophenyl)-NN1-triethyl-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CCN(CC)C(C(C(c(cccc1)c1Cl)N1)=C(C)N(CC)C1=S)=O

InChI

InChI=1S/C18H24ClN3OS/c1-5-21(6-2)17(23)15-12(4)22(7-3)18(24)20-16(15)13-10-8-9-11-14(13)19/h8-11,16H,5-7H2,1-4H3,(H,20,24)/t16-/m0/s1

InChI Key

IJJVEMPYFJCIOZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19785021

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

365.93

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

3.329

Distribution Coefficient, logD

3.324

Water Solubility, LogSw

-3.49

Polar Surface Area

30.404

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V026-9972 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V026-9972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-9972?
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What is the minimum amount of V026-9972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-9972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-9972
  • 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 V026-9972 available by request