1883-0030 Screening compound: pentyl 4-(4-chlorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1883-0030 Screening compound: pentyl 4-(4-chlorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1883-0030 Screening compound: pentyl 4-(4-chlorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1883-0030
pentyl 4-(4-chlorophenyl)-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

1883-0030

Molecular Formula

C18H23ClN2O3 (C18 H23 ClN2 O3)

Compound Name

pentyl 4-(4-chlorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

pentyl 4-(4-chlorophenyl)-16-dimethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCCCOC(C(C(c(cc1)ccc1Cl)N1)=C(C)N(C)C1=O)=O

InChI

InChI=1S/C18H23ClN2O3/c1-4-5-6-11-24-17(22)15-12(2)21(3)18(23)20-16(15)13-7-9-14(19)10-8-13/h7-10,16H,4-6,11H2,1-3H3,(H,20,23)/t16-/m0/s1

InChI Key

SDQFRNRLFGDLHL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00816326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.125

Distribution Coefficient, logD

4.117

Water Solubility, LogSw

-4.70

Polar Surface Area

48.723

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

1883-0030 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1883-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1883-0030?
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What is the minimum amount of 1883-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1883-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1883-0030
  • 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 1883-0030 available by request