2785-0352 Screening compound: 4-(4-hydroxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

2785-0352 Screening compound: 4-(4-hydroxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
2785-0352 Screening compound: 4-(4-hydroxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2785-0352
4-(4-hydroxyphenyl)-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

2785-0352

Molecular Formula

C18H17N3O2S (C18 H17 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(NC1c(cc2)ccc2O)=S)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C18H17N3O2S/c1-11-15(17(23)20-13-5-3-2-4-6-13)16(21-18(24)19-11)12-7-9-14(22)10-8-12/h2-10,16,22H,1H3,(H,20,23)(H2,19,21,24)/t16-/m1/s1

InChI Key

JXHMDIDAVWEGIE-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00612373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.165

Distribution Coefficient, logD

2.163

Water Solubility, LogSw

-2.76

Polar Surface Area

63.382

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

2785-0352 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2785-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2785-0352?
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What is the minimum amount of 2785-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2785-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2785-0352
  • 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 2785-0352 available by request