V009-3177 Screening compound: methyl 3,5-dimethyl-4-[2-(N-methyl4-fluorobenzenesulfonamido)acetyl]-1H-pyrrole-2-carboxylate

V009-3177 Screening compound: methyl 3,5-dimethyl-4-[2-(N-methyl4-fluorobenzenesulfonamido)acetyl]-1H-pyrrole-2-carboxylate
V009-3177 Screening compound: methyl 3,5-dimethyl-4-[2-(N-methyl4-fluorobenzenesulfonamido)acetyl]-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3177
methyl 3,5-dimethyl-4-[2-(N-methyl4-fluorobenzenesulfonamido)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

V009-3177

Molecular Formula

C17H19FN2O5S (C17 H19 FN2 O5 S)

Compound Name

methyl 3,5-dimethyl-4-[2-(N-methyl4-fluorobenzenesulfonamido)acetyl]-1H-pyrrole-2-carboxylate

IUPAC name

methyl 35-dimethyl-4-[2-(N-methyl4-fluorobenzenesulfonamido)acetyl]-1H-pyrrole-2-carboxylate

SMILES

Cc1c(C(OC)=O)[nH]c(C)c1C(CN(C)S(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C17H19FN2O5S/c1-10-15(11(2)19-16(10)17(22)25-4)14(21)9-20(3)26(23,24)13-7-5-12(18)6-8-13/h5-8,19H,9H2,1-4H3

InChI Key

PNMCIDRSBCUSNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14253675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.235

Distribution Coefficient, logD

2.235

Water Solubility, LogSw

-2.88

Polar Surface Area

78.205

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

V009-3177 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 V009-3177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3177?
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What is the minimum amount of V009-3177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3177
  • 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 V009-3177 available by request