C276-0631 Screening compound: propan-2-yl 6-(4-ethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0631 Screening compound: propan-2-yl 6-(4-ethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0631 Screening compound: propan-2-yl 6-(4-ethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0631
propan-2-yl 6-(4-ethylphenyl)-3-methyl-4-oxo-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

C276-0631

Molecular Formula

C21H25NO3 (C21 H25 NO3)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(C(Cc2c3c(C)c(C(OC(C)C)=O)[nH]2)CC3=O)cc1

InChI

InChI=1S/C21H25NO3/c1-5-14-6-8-15(9-7-14)16-10-17-19(18(23)11-16)13(4)20(22-17)21(24)25-12(2)3/h6-9,12,16,22H,5,10-11H2,1-4H3/t16-/m1/s1

InChI Key

DFKVXOJOLQKMBS-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06754356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.43

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

4.847

Distribution Coefficient, logD

4.847

Water Solubility, LogSw

-4.71

Polar Surface Area

45.473

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C276-0631 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C276-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0631?
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What is the minimum amount of C276-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0631
  • 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 C276-0631 available by request