8016-1500 Screening compound: N-allyl-N-[1-(4-methoxyphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-N'-phenylurea

8016-1500 Screening compound: N-allyl-N-[1-(4-methoxyphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-N'-phenylurea
8016-1500 Screening compound: N-allyl-N-[1-(4-methoxyphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-N'-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1500
N-allyl-N-[1-(4-methoxyphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-N'-phenylurea

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

8016-1500

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

N-allyl-N-[1-(4-methoxyphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]-N'-phenylurea

IUPAC name

n/a

SMILES

COc(cc1)ccc1N(C(CC1N(CC=C)C(Nc2ccccc2)=O)=O)C1=O

InChI

InChI=1S/C21H21N3O4/c1-3-13-23(21(27)22-15-7-5-4-6-8-15)18-14-19(25)24(20(18)26)16-9-11-17(28-2)12-10-16/h3-12,18H,1,13-14H2,2H3,(H,22,27)/t18-/m0/s1

InChI Key

APEVFNQFRMNSSB-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.061

Distribution Coefficient, logD

2.061

Water Solubility, LogSw

-2.66

Polar Surface Area

60.501

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 8016-1500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1500?
Check Price and Availability of 8016-1500, 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 8016-1500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1500
  • 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 8016-1500 available by request