1630-0542 Screening compound: 6-ethyl-5-nitro-4-(2-propoxyphenyl)-1,2,3,4-tetrahydropyrimidin-2-one

1630-0542 Screening compound: 6-ethyl-5-nitro-4-(2-propoxyphenyl)-1,2,3,4-tetrahydropyrimidin-2-one
1630-0542 Screening compound: 6-ethyl-5-nitro-4-(2-propoxyphenyl)-1,2,3,4-tetrahydropyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0542
6-ethyl-5-nitro-4-(2-propoxyphenyl)-1,2,3,4-tetrahydropyrimidin-2-one

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

1630-0542

Molecular Formula

C15H19N3O4 (C15 H19 N3 O4)

Compound Name

6-ethyl-5-nitro-4-(2-propoxyphenyl)-1,2,3,4-tetrahydropyrimidin-2-one

IUPAC name

6-ethyl-5-nitro-4-(2-propoxyphenyl)-1234-tetrahydropyrimidin-2-one

SMILES

CCCOc1c(C(C([N+]([O-])=O)=C(CC)N2)NC2=O)cccc1

InChI

InChI=1S/C15H19N3O4/c1-3-9-22-12-8-6-5-7-10(12)13-14(18(20)21)11(4-2)16-15(19)17-13/h5-8,13H,3-4,9H2,1-2H3,(H2,16,17,19)/t13-/m0/s1

InChI Key

NOXNYQQSICCZOR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00405608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.045

Distribution Coefficient, logD

2.933

Water Solubility, LogSw

-3.51

Polar Surface Area

77.103

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

-7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

1630-0542 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1630-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0542?
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What is the minimum amount of 1630-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0542
  • 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 1630-0542 available by request