8014-2038 Screening compound: 3-(4-ethoxyphenyl)-3-[(9H-xanthen-9-yl)formamido]propanoic acid

8014-2038 Screening compound: 3-(4-ethoxyphenyl)-3-[(9H-xanthen-9-yl)formamido]propanoic acid
8014-2038 Screening compound: 3-(4-ethoxyphenyl)-3-[(9H-xanthen-9-yl)formamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2038
3-(4-ethoxyphenyl)-3-[(9H-xanthen-9-yl)formamido]propanoic acid

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

8014-2038

Molecular Formula

C25H23NO5 (C25 H23 NO5)

Compound Name

3-(4-ethoxyphenyl)-3-[(9H-xanthen-9-yl)formamido]propanoic acid

IUPAC name

3-(4-ethoxyphenyl)-3-[(9H-xanthen-9-yl)formamido]propanoic acid

SMILES

CCOc1ccc(C(CC(O)=O)NC(C2c(cccc3)c3Oc3c2cccc3)=O)cc1

InChI

InChI=1S/C25H23NO5/c1-2-30-17-13-11-16(12-14-17)20(15-23(27)28)26-25(29)24-18-7-3-5-9-21(18)31-22-10-6-4-8-19(22)24/h3-14,20,24H,2,15H2,1H3,(H,26,29)(H,27,28)/t20-/m0/s1

InChI Key

ZAHXGKQFRHRICV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03768151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

-2.161

Water Solubility, LogSw

-4.04

Polar Surface Area

66.603

Acid Dissociation Constant (pKa)

1.41

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8014-2038 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8014-2038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2038?
Check Price and Availability of 8014-2038, 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 8014-2038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2038
  • 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 8014-2038 available by request