Y040-6122 Screening compound: methyl 4-(5-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl)-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate

Y040-6122 Screening compound: methyl 4-(5-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl)-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
Y040-6122 Screening compound: methyl 4-(5-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl)-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6122
methyl 4-(5-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl)-5-(3,4-dimethoxyphenyl)-2-methyl-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

Y040-6122

Molecular Formula

C23H21ClN2O5 (C23 H21 ClN2 O5)

Compound Name

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

IUPAC name

methyl 4-(5-chloro-2-oxo-23-dihydro-1H-indol-3-yl)-5-(34-dimethoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(C(c(cc(cc2)Cl)c2N2)C2=O)c(-c(cc2)cc(OC)c2OC)[nH]1

InChI

InChI=1S/C23H21ClN2O5/c1-11-18(23(28)31-4)20(19-14-10-13(24)6-7-15(14)26-22(19)27)21(25-11)12-5-8-16(29-2)17(9-12)30-3/h5-10,19,25H,1-4H3,(H,26,27)/t19-/m0/s1

InChI Key

YOOJYUQTRWLOTH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD12210784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.028

Distribution Coefficient, logD

3.494

Water Solubility, LogSw

-4.75

Polar Surface Area

72.355

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

Y040-6122 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 Y040-6122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6122?
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What is the minimum amount of Y040-6122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6122
  • 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 Y040-6122 available by request