C276-0407 Screening compound: butan-2-yl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0407 Screening compound: butan-2-yl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0407 Screening compound: butan-2-yl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0407
butan-2-yl 6-(4-tert-butylphenyl)-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

C276-0407

Molecular Formula

C24H31NO3 (C24 H31 NO3)

Compound Name

butan-2-yl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

butan-2-yl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

CCC(C)OC(c1c(C)c(C(CC(C2)c3ccc(C(C)(C)C)cc3)=O)c2[nH]1)=O

InChI

InChI=1S/C24H31NO3/c1-7-14(2)28-23(27)22-15(3)21-19(25-22)12-17(13-20(21)26)16-8-10-18(11-9-16)24(4,5)6/h8-11,14,17,25H,7,12-13H2,1-6H3

InChI Key

LAYLPWQDYZYNQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06754177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.52

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

6.473

Distribution Coefficient, logD

6.473

Water Solubility, LogSw

-5.87

Polar Surface Area

45.357

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

C276-0407 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 C276-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0407?
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What is the minimum amount of C276-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0407
  • 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 C276-0407 available by request