1630-0747 Screening compound: methyl 6-methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1630-0747 Screening compound: methyl 6-methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1630-0747 Screening compound: methyl 6-methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0747
methyl 6-methyl-4-phenyl-2-sulfanylidene-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

1630-0747

Molecular Formula

C13H14N2O2S (C13 H14 N2 O2 S)

Compound Name

methyl 6-methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 6-methyl-4-phenyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c2ccccc2)=S)=C1C(OC)=O

InChI

InChI=1S/C13H14N2O2S/c1-8-10(12(16)17-2)11(15-13(18)14-8)9-6-4-3-5-7-9/h3-7,11H,1-2H3,(H2,14,15,18)/t11-/m1/s1

InChI Key

BITNETQOCMZGKF-LLVKDONJSA-N

MDL Number (MFCD)

MFCD00275315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.870

Distribution Coefficient, logD

1.854

Water Solubility, LogSw

-2.32

Polar Surface Area

43.848

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-6.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

1630-0747 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

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 1630-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0747?
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What is the minimum amount of 1630-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0747
  • 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 1630-0747 available by request