4681-3789 Screening compound: 4-(4-chlorophenyl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

4681-3789 Screening compound: 4-(4-chlorophenyl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
4681-3789 Screening compound: 4-(4-chlorophenyl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4681-3789
4-(4-chlorophenyl)-N,6-dimethyl-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

4681-3789

Molecular Formula

C13H14ClN3OS (C13 H14 ClN3 OS)

Compound Name

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

IUPAC name

4-(4-chlorophenyl)-N6-dimethyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

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

InChI

InChI=1S/C13H14ClN3OS/c1-7-10(12(18)15-2)11(17-13(19)16-7)8-3-5-9(14)6-4-8/h3-6,11H,1-2H3,(H,15,18)(H2,16,17,19)/t11-/m0/s1

InChI Key

DTNZCBVILZRQSE-NSHDSACASA-N

MDL Number (MFCD)

MFCD03145770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.674

Distribution Coefficient, logD

1.669

Water Solubility, LogSw

-2.84

Polar Surface Area

47.510

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 4681-3789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4681-3789?
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What is the minimum amount of 4681-3789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4681-3789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4681-3789
  • 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 4681-3789 available by request