1834-0018 Screening compound: 2-(ethylsulfanyl)ethyl 4-(2-iodophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1834-0018 Screening compound: 2-(ethylsulfanyl)ethyl 4-(2-iodophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1834-0018 Screening compound: 2-(ethylsulfanyl)ethyl 4-(2-iodophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1834-0018
2-(ethylsulfanyl)ethyl 4-(2-iodophenyl)-1,6-dimethyl-2-oxo-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

1834-0018

Molecular Formula

C17H21IN2O3S (C17 H21 IN2 O3 S)

Compound Name

2-(ethylsulfanyl)ethyl 4-(2-iodophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-(ethylsulfanyl)ethyl 4-(2-iodophenyl)-16-dimethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCSCCOC(C(C(c(cccc1)c1I)N1)=C(C)N(C)C1=O)=O

InChI

InChI=1S/C17H21IN2O3S/c1-4-24-10-9-23-16(21)14-11(2)20(3)17(22)19-15(14)12-7-5-6-8-13(12)18/h5-8,15H,4,9-10H2,1-3H3,(H,19,22)/t15-/m0/s1

InChI Key

LLQCAPKVDBCHCO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00785497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.286

Distribution Coefficient, logD

3.283

Water Solubility, LogSw

-3.41

Polar Surface Area

48.723

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

1834-0018 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1834-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1834-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1834-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1834-0018
  • 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 1834-0018 available by request