Y040-6129 Screening compound: methyl 4-(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

Y040-6129 Screening compound: methyl 4-(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Y040-6129 Screening compound: methyl 4-(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6129
methyl 4-(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-methyl-5-phenyl-1H-pyrrole-3-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

Y040-6129

Molecular Formula

C21H17FN2O3 (C21 H17 FN2 O3)

Compound Name

methyl 4-(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

IUPAC name

methyl 4-(5-fluoro-2-oxo-23-dihydro-1H-indol-3-yl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(C(c(cc(cc2)F)c2N2)C2=O)c(-c2ccccc2)[nH]1

InChI

InChI=1S/C21H17FN2O3/c1-11-16(21(26)27-2)18(19(23-11)12-6-4-3-5-7-12)17-14-10-13(22)8-9-15(14)24-20(17)25/h3-10,17,23H,1-2H3,(H,24,25)/t17-/m0/s1

InChI Key

BTMCYUGFUBXFCW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27961044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.771

Distribution Coefficient, logD

3.237

Water Solubility, LogSw

-4.21

Polar Surface Area

57.094

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.29

References: we are preparing a list of scientific research reports with Y040-6129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6129?
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What is the minimum amount of Y040-6129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6129
  • 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 Y040-6129 available by request