V005-3020 Screening compound: methyl 1,3,5-trimethyl-4-[2-(N-propyl4-fluorobenzenesulfonamido)propanoyl]-1H-pyrrole-2-carboxylate

V005-3020 Screening compound: methyl 1,3,5-trimethyl-4-[2-(N-propyl4-fluorobenzenesulfonamido)propanoyl]-1H-pyrrole-2-carboxylate
V005-3020 Screening compound: methyl 1,3,5-trimethyl-4-[2-(N-propyl4-fluorobenzenesulfonamido)propanoyl]-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-3020
methyl 1,3,5-trimethyl-4-[2-(N-propyl4-fluorobenzenesulfonamido)propanoyl]-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

V005-3020

Molecular Formula

C21H27FN2O5S (C21 H27 FN2 O5 S)

Compound Name

methyl 1,3,5-trimethyl-4-[2-(N-propyl4-fluorobenzenesulfonamido)propanoyl]-1H-pyrrole-2-carboxylate

IUPAC name

methyl 135-trimethyl-4-[2-(N-propyl4-fluorobenzenesulfonamido)propanoyl]-1H-pyrrole-2-carboxylate

SMILES

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

InChI

InChI=1S/C21H27FN2O5S/c1-7-12-24(30(27,28)17-10-8-16(22)9-11-17)15(4)20(25)18-13(2)19(21(26)29-6)23(5)14(18)3/h8-11,15H,7,12H2,1-6H3/t15-/m0/s1

InChI Key

NHFXEXGCFRXBSI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14258518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

3.277

Water Solubility, LogSw

-3.69

Polar Surface Area

68.715

Acid Dissociation Constant (pKa)

18.06

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V005-3020 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V005-3020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-3020?
Check Price and Availability of V005-3020, 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 V005-3020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-3020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-3020
  • 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 V005-3020 available by request