C276-0418 Screening compound: (4-methylphenyl)methyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0418 Screening compound: (4-methylphenyl)methyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0418 Screening compound: (4-methylphenyl)methyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0418
(4-methylphenyl)methyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-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

C276-0418

Molecular Formula

C22H21NO3S (C22 H21 NO3 S)

Compound Name

(4-methylphenyl)methyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

(4-methylphenyl)methyl 3-methyl-4-oxo-6-(thiophen-2-yl)-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

Cc1c(C(OCc2ccc(C)cc2)=O)[nH]c(CC(C2)c3cccs3)c1C2=O

InChI

InChI=1S/C22H21NO3S/c1-13-5-7-15(8-6-13)12-26-22(25)21-14(2)20-17(23-21)10-16(11-18(20)24)19-4-3-9-27-19/h3-9,16,23H,10-12H2,1-2H3/t16-/m0/s1

InChI Key

ZOWUVIRVCJQEOV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06008258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.551

Distribution Coefficient, logD

4.551

Water Solubility, LogSw

-4.74

Polar Surface Area

46.917

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

C276-0418 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C276-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0418?
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What is the minimum amount of C276-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0418
  • 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 C276-0418 available by request