2189-1057 Screening compound: 3'-[(2-methoxyphenyl)carbamoyl]-[1,1'-biphenyl]-4-yl acetate

2189-1057 Screening compound: 3'-[(2-methoxyphenyl)carbamoyl]-[1,1'-biphenyl]-4-yl acetate
2189-1057 Screening compound: 3'-[(2-methoxyphenyl)carbamoyl]-[1,1'-biphenyl]-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-1057
3'-[(2-methoxyphenyl)carbamoyl]-[1,1'-biphenyl]-4-yl acetate

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

2189-1057

Molecular Formula

C22H19NO4 (C22 H19 NO4)

Compound Name

3'-[(2-methoxyphenyl)carbamoyl]-[1,1'-biphenyl]-4-yl acetate

IUPAC name

3'-[(2-methoxyphenyl)carbamoyl]-[11'-biphenyl]-4-yl acetate

SMILES

CC(Oc(cc1)ccc1-c1cccc(C(Nc(cccc2)c2OC)=O)c1)=O

InChI

InChI=1S/C22H19NO4/c1-15(24)27-19-12-10-16(11-13-19)17-6-5-7-18(14-17)22(25)23-20-8-3-4-9-21(20)26-2/h3-14H,1-2H3,(H,23,25)

InChI Key

XBKGZMGMQGFRHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.279

Distribution Coefficient, logD

4.279

Water Solubility, LogSw

-4.67

Polar Surface Area

50.742

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

2189-1057 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2189-1057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2189-1057?
Check Price and Availability of 2189-1057, 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 2189-1057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-1057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-1057
  • 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 2189-1057 available by request