2159-1644 Screening compound: methyl 2-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzoate

2159-1644 Screening compound: methyl 2-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzoate
2159-1644 Screening compound: methyl 2-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-1644
methyl 2-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzoate

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

2159-1644

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

methyl 2-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzoate

IUPAC name

methyl 2-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzoate

SMILES

CC(C)(c1cc(C(C)=C)ccc1)NC(Nc(cccc1)c1C(OC)=O)=O

InChI

InChI=1S/C21H24N2O3/c1-14(2)15-9-8-10-16(13-15)21(3,4)23-20(25)22-18-12-7-6-11-17(18)19(24)26-5/h6-13H,1H2,2-5H3,(H2,22,23,25)

InChI Key

SUGRKQCFDGVVQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01183040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.700

Distribution Coefficient, logD

4.700

Water Solubility, LogSw

-4.62

Polar Surface Area

53.352

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

2159-1644 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2159-1644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-1644?
Check Price and Availability of 2159-1644, 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 2159-1644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-1644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-1644
  • 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 2159-1644 available by request