1716-1966 Screening compound: methyl 1,6-dimethyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1716-1966 Screening compound: methyl 1,6-dimethyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1716-1966 Screening compound: methyl 1,6-dimethyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1966
methyl 1,6-dimethyl-2-oxo-4-(thiophen-2-yl)-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

1716-1966

Molecular Formula

C12H14N2O3S (C12 H14 N2 O3 S)

Compound Name

methyl 1,6-dimethyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 16-dimethyl-2-oxo-4-(thiophen-2-yl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(N(C)C(NC1c2cccs2)=O)=C1C(OC)=O

InChI

InChI=1S/C12H14N2O3S/c1-7-9(11(15)17-3)10(8-5-4-6-18-8)13-12(16)14(7)2/h4-6,10H,1-3H3,(H,13,16)/t10-/m0/s1

InChI Key

LXKLQYVXKPBNJU-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00718236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.278

Distribution Coefficient, logD

1.277

Water Solubility, LogSw

-2.10

Polar Surface Area

49.867

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

-4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

1716-1966 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Pool

References: we are preparing a list of scientific research reports with 1716-1966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1716-1966?
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What is the minimum amount of 1716-1966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1966
  • 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 1716-1966 available by request