V026-7091 Screening compound: ethyl 4-{2-[1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

V026-7091 Screening compound: ethyl 4-{2-[1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
V026-7091 Screening compound: ethyl 4-{2-[1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-7091
ethyl 4-{2-[1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]acetyl}-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

V026-7091

Molecular Formula

C27H28ClFN2O4 (C27 H28 ClFN2 O4)

Compound Name

ethyl 4-{2-[1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{2-[1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]acetyl}-1-ethyl-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCn1c(C(OCC)=O)c(C)c(C(CN(Cc(cc2)ccc2F)C(c(cccc2)c2Cl)=O)=O)c1C

InChI

InChI=1S/C27H28ClFN2O4/c1-5-31-18(4)24(17(3)25(31)27(34)35-6-2)23(32)16-30(15-19-11-13-20(29)14-12-19)26(33)21-9-7-8-10-22(21)28/h7-14H,5-6,15-16H2,1-4H3

InChI Key

ZTCBWXQYBCENGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13968036

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.579

Distribution Coefficient, logD

4.579

Water Solubility, LogSw

-4.96

Polar Surface Area

50.902

Acid Dissociation Constant (pKa)

19.82

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

V026-7091 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 V026-7091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-7091?
Check Price and Availability of V026-7091, 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 V026-7091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-7091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-7091
  • 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 V026-7091 available by request