V004-1947 Screening compound: methyl 4-{2-[[(4-fluorophenyl)sulfonyl](isopropyl)amino]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

V004-1947 Screening compound: methyl 4-{2-[[(4-fluorophenyl)sulfonyl](isopropyl)amino]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
V004-1947 Screening compound: methyl 4-{2-[[(4-fluorophenyl)sulfonyl](isopropyl)amino]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1947
methyl 4-{2-[[(4-fluorophenyl)sulfonyl](isopropyl)amino]acetyl}-1,3,5-trimethyl-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

V004-1947

Molecular Formula

C20H25FN2O5S (C20 H25 FN2 O5 S)

Compound Name

methyl 4-{2-[[(4-fluorophenyl)sulfonyl](isopropyl)amino]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

IUPAC name

n/a

SMILES

CC(C)N(CC(c1c(C)n(C)c(C(OC)=O)c1C)=O)S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C20H25FN2O5S/c1-12(2)23(29(26,27)16-9-7-15(21)8-10-16)11-17(24)18-13(3)19(20(25)28-6)22(5)14(18)4/h7-10,12H,11H2,1-6H3

InChI Key

WFIXPUSQAYQMPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14256637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.859

Distribution Coefficient, logD

2.859

Water Solubility, LogSw

-3.33

Polar Surface Area

68.625

Acid Dissociation Constant (pKa)

19.82

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V004-1947 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V004-1947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1947?
Check Price and Availability of V004-1947, 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 V004-1947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1947
  • 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 V004-1947 available by request