V006-5467 Screening compound: methyl 2-(2-chloro-4-fluorophenyl)-2-[4-(2,4,6-trichlorobenzamido)cyclopent-2-en-1-yl]acetate

V006-5467 Screening compound: methyl 2-(2-chloro-4-fluorophenyl)-2-[4-(2,4,6-trichlorobenzamido)cyclopent-2-en-1-yl]acetate
V006-5467 Screening compound: methyl 2-(2-chloro-4-fluorophenyl)-2-[4-(2,4,6-trichlorobenzamido)cyclopent-2-en-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5467
methyl 2-(2-chloro-4-fluorophenyl)-2-[4-(2,4,6-trichlorobenzamido)cyclopent-2-en-1-yl]acetate

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

V006-5467

Molecular Formula

C21H16Cl4FNO3 (C21 H16 Cl4 FNO3)

Compound Name

methyl 2-(2-chloro-4-fluorophenyl)-2-[4-(2,4,6-trichlorobenzamido)cyclopent-2-en-1-yl]acetate

IUPAC name

methyl 2-(2-chloro-4-fluorophenyl)-2-[4-(246-trichlorobenzamido)cyclopent-2-en-1-yl]acetate

SMILES

COC(C(C(C1)C=CC1NC(c(c(Cl)cc(Cl)c1)c1Cl)=O)c(ccc(F)c1)c1Cl)=O

InChI

InChI=1S/C21H16Cl4FNO3/c1-30-21(29)18(14-5-3-12(26)9-15(14)23)10-2-4-13(6-10)27-20(28)19-16(24)7-11(22)8-17(19)25/h2-5,7-10,13,18H,6H2,1H3,(H,27,28)

InChI Key

XGIKTJKXGCDEQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19943987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.503

Distribution Coefficient, logD

6.485

Water Solubility, LogSw

-6.68

Polar Surface Area

45.645

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-5.11

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V006-5467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5467?
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What is the minimum amount of V006-5467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5467
  • 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 V006-5467 available by request