4383-0298 Screening compound: tert-butyl 6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4383-0298 Screening compound: tert-butyl 6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4383-0298 Screening compound: tert-butyl 6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4383-0298
tert-butyl 6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

4383-0298

Molecular Formula

C19H26N2O5S (C19 H26 N2 O5 S)

Compound Name

tert-butyl 6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

tert-butyl 6-methyl-2-sulfanylidene-4-(345-trimethoxyphenyl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)(C)OC(C(C(c(cc1OC)cc(OC)c1OC)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C19H26N2O5S/c1-10-14(17(22)26-19(2,3)4)15(21-18(27)20-10)11-8-12(23-5)16(25-7)13(9-11)24-6/h8-9,15H,1-7H3,(H2,20,21,27)/t15-/m1/s1

InChI Key

KSQSGWVOVJVZBR-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02844962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.952

Distribution Coefficient, logD

2.936

Water Solubility, LogSw

-3.39

Polar Surface Area

65.515

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-7.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

4383-0298 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4383-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4383-0298?
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What is the minimum amount of 4383-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4383-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4383-0298
  • 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 4383-0298 available by request