C276-0640 Screening compound: (2E)-but-2-en-1-yl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0640 Screening compound: (2E)-but-2-en-1-yl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0640 Screening compound: (2E)-but-2-en-1-yl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0640
(2E)-but-2-en-1-yl 6-(4-chlorophenyl)-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

C276-0640

Molecular Formula

C20H20ClNO3 (C20 H20 ClNO3)

Compound Name

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

IUPAC name

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

SMILES

C/C=C/COC(c1c(C)c(C(CC(C2)c(cc3)ccc3Cl)=O)c2[nH]1)=O

InChI

InChI=1S/C20H20ClNO3/c1-3-4-9-25-20(24)19-12(2)18-16(22-19)10-14(11-17(18)23)13-5-7-15(21)8-6-13/h3-8,14,22H,9-11H2,1-2H3/t14-/m0/s1

InChI Key

ZJXJEOGJZZPLGA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06754365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.84

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

4.652

Distribution Coefficient, logD

4.652

Water Solubility, LogSw

-5.15

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

30.00

References: we are preparing a list of scientific research reports with C276-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0640?
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What is the minimum amount of C276-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0640
  • 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 C276-0640 available by request