V025-8085 Screening compound: ETHYL 4-[2-(2,4-DIFLUOROPHENOXY)PROPANOYL]-1-ETHYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE

V025-8085 Screening compound: ETHYL 4-[2-(2,4-DIFLUOROPHENOXY)PROPANOYL]-1-ETHYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE
V025-8085 Screening compound: ETHYL 4-[2-(2,4-DIFLUOROPHENOXY)PROPANOYL]-1-ETHYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-8085
ETHYL 4-[2-(2,4-DIFLUOROPHENOXY)PROPANOYL]-1-ETHYL-3,5-DIMETHYL-1H-PYRROLE-2-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

V025-8085

Molecular Formula

C20H23F2NO4 (C20 H23 F2 NO4)

Compound Name

ETHYL 4-[2-(2,4-DIFLUOROPHENOXY)PROPANOYL]-1-ETHYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE

IUPAC name

n/a

SMILES

CCn1c(C(OCC)=O)c(C)c(C(C(C)Oc(ccc(F)c2)c2F)=O)c1C

InChI

InChI=1S/C20H23F2NO4/c1-6-23-12(4)17(11(3)18(23)20(25)26-7-2)19(24)13(5)27-16-9-8-14(21)10-15(16)22/h8-10,13H,6-7H2,1-5H3/t13-/m0/s1

InChI Key

OKAHFKHZPUQILC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD19901340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.227

Distribution Coefficient, logD

4.227

Water Solubility, LogSw

-4.35

Polar Surface Area

42.058

Acid Dissociation Constant (pKa)

19.88

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V025-8085 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V025-8085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-8085?
Check Price and Availability of V025-8085, 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 V025-8085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-8085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-8085
  • 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 V025-8085 available by request