4693-1145 Screening compound: methyl (5Z)-1-(3,4-dimethylphenyl)-5-{[1-(2,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

4693-1145 Screening compound: methyl (5Z)-1-(3,4-dimethylphenyl)-5-{[1-(2,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
4693-1145 Screening compound: methyl (5Z)-1-(3,4-dimethylphenyl)-5-{[1-(2,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4693-1145
methyl (5Z)-1-(3,4-dimethylphenyl)-5-{[1-(2,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-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

4693-1145

Molecular Formula

C30H32N2O3 (C30 H32 N2 O3)

Compound Name

methyl (5Z)-1-(3,4-dimethylphenyl)-5-{[1-(2,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl (5Z)-1-(34-dimethylphenyl)-5-{[1-(25-dimethylphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

Cc1cc(/C=C(/C(C(C(OC)=O)=C2C)=O)\N2c2cc(C)c(C)cc2)c(C)n1-c1c(C)ccc(C)c1

InChI

InChI=1S/C30H32N2O3/c1-17-9-10-19(3)26(13-17)31-21(5)15-24(22(31)6)16-27-29(33)28(30(34)35-8)23(7)32(27)25-12-11-18(2)20(4)14-25/h9-16H,1-8H3

InChI Key

RWVWFFGKXRSCNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.651

Distribution Coefficient, logD

6.632

Water Solubility, LogSw

-5.65

Polar Surface Area

37.775

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 4693-1145 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4693-1145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4693-1145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4693-1145
  • 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 4693-1145 available by request