C276-0633 Screening compound: (2E)-but-2-en-1-yl 6-(4-ethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0633 Screening compound: (2E)-but-2-en-1-yl 6-(4-ethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0633 Screening compound: (2E)-but-2-en-1-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 C276-0633
(2E)-but-2-en-1-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

C276-0633

Molecular Formula

C22H25NO3 (C22 H25 NO3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H25NO3/c1-4-6-11-26-22(25)21-14(3)20-18(23-21)12-17(13-19(20)24)16-9-7-15(5-2)8-10-16/h4,6-10,17,23H,5,11-13H2,1-3H3/t17-/m1/s1

InChI Key

KRIMXQBZVVSXFP-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06754358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.988

Distribution Coefficient, logD

4.988

Water Solubility, LogSw

-4.80

Polar Surface Area

46.089

Acid Dissociation Constant (pKa)

5.24

Base Dissociation Constant (pKb)

-4.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

C276-0633 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 C276-0633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0633?
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What is the minimum amount of C276-0633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0633
  • 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 C276-0633 available by request