2862-0007 Screening compound: 4-(3-bromophenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

2862-0007 Screening compound: 4-(3-bromophenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
2862-0007 Screening compound: 4-(3-bromophenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2862-0007
4-(3-bromophenyl)-N-(2-methoxyphenyl)-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

2862-0007

Molecular Formula

C19H18BrN3O2S (C19 H18 BrN3 O2 S)

Compound Name

4-(3-bromophenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

4-(3-bromophenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c2cccc(Br)c2)=S)=C1C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C19H18BrN3O2S/c1-11-16(18(24)22-14-8-3-4-9-15(14)25-2)17(23-19(26)21-11)12-6-5-7-13(20)10-12/h3-10,17H,1-2H3,(H,22,24)(H2,21,23,26)/t17-/m0/s1

InChI Key

CRWTYXLQYVTTOM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01849955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.873

Distribution Coefficient, logD

3.862

Water Solubility, LogSw

-4.10

Polar Surface Area

52.698

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 2862-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2862-0007?
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What is the minimum amount of 2862-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2862-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2862-0007
  • 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 2862-0007 available by request