V005-2529 Screening compound: methyl 1-ethyl-3,5-dimethyl-4-{2-[N-(prop-2-en-1-yl)4-methylbenzenesulfonamido]acetyl}-1H-pyrrole-2-carboxylate

V005-2529 Screening compound: methyl 1-ethyl-3,5-dimethyl-4-{2-[N-(prop-2-en-1-yl)4-methylbenzenesulfonamido]acetyl}-1H-pyrrole-2-carboxylate
V005-2529 Screening compound: methyl 1-ethyl-3,5-dimethyl-4-{2-[N-(prop-2-en-1-yl)4-methylbenzenesulfonamido]acetyl}-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-2529
methyl 1-ethyl-3,5-dimethyl-4-{2-[N-(prop-2-en-1-yl)4-methylbenzenesulfonamido]acetyl}-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

V005-2529

Molecular Formula

C22H28N2O5S (C22 H28 N2 O5 S)

Compound Name

methyl 1-ethyl-3,5-dimethyl-4-{2-[N-(prop-2-en-1-yl)4-methylbenzenesulfonamido]acetyl}-1H-pyrrole-2-carboxylate

IUPAC name

methyl 1-ethyl-35-dimethyl-4-{2-[N-(prop-2-en-1-yl)4-methylbenzenesulfonamido]acetyl}-1H-pyrrole-2-carboxylate

SMILES

CCn1c(C(OC)=O)c(C)c(C(CN(CC=C)S(c2ccc(C)cc2)(=O)=O)=O)c1C

InChI

InChI=1S/C22H28N2O5S/c1-7-13-23(30(27,28)18-11-9-15(3)10-12-18)14-19(25)20-16(4)21(22(26)29-6)24(8-2)17(20)5/h7,9-12H,1,8,13-14H2,2-6H3

InChI Key

PXSPSVLLSMUBQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14258564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.670

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-4.07

Polar Surface Area

66.736

Acid Dissociation Constant (pKa)

20.00

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

V005-2529 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 V005-2529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2529?
Check Price and Availability of V005-2529, 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 V005-2529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2529
  • 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 V005-2529 available by request