2017-2387 Screening compound: prop-2-en-1-yl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2017-2387 Screening compound: prop-2-en-1-yl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2017-2387 Screening compound: prop-2-en-1-yl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2017-2387
prop-2-en-1-yl 1,6-dimethyl-4-(3-nitrophenyl)-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

2017-2387

Molecular Formula

C16H17N3O5 (C16 H17 N3 O5)

Compound Name

prop-2-en-1-yl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

prop-2-en-1-yl 16-dimethyl-4-(3-nitrophenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(N(C)C(NC1c2cccc([N+]([O-])=O)c2)=O)=C1C(OCC=C)=O

InChI

InChI=1S/C16H17N3O5/c1-4-8-24-15(20)13-10(2)18(3)16(21)17-14(13)11-6-5-7-12(9-11)19(22)23/h4-7,9,14H,1,8H2,2-3H3,(H,17,21)/t14-/m0/s1

InChI Key

AIYOVQQKAJQHLP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01133731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.971

Distribution Coefficient, logD

1.921

Water Solubility, LogSw

-2.54

Polar Surface Area

82.104

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

2017-2387 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 2017-2387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2017-2387?
Check Price and Availability of 2017-2387, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2017-2387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2017-2387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2017-2387
  • 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 2017-2387 available by request