V031-2415 Screening compound: methyl 2-(2-chloro-4-fluorophenyl)-2-{4-[4-(heptyloxy)benzamido]cyclopent-2-en-1-yl}acetate

V031-2415 Screening compound: methyl 2-(2-chloro-4-fluorophenyl)-2-{4-[4-(heptyloxy)benzamido]cyclopent-2-en-1-yl}acetate
V031-2415 Screening compound: methyl 2-(2-chloro-4-fluorophenyl)-2-{4-[4-(heptyloxy)benzamido]cyclopent-2-en-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2415
methyl 2-(2-chloro-4-fluorophenyl)-2-{4-[4-(heptyloxy)benzamido]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

V031-2415

Molecular Formula

C28H33ClFNO4 (C28 H33 ClFNO4)

Compound Name

methyl 2-(2-chloro-4-fluorophenyl)-2-{4-[4-(heptyloxy)benzamido]cyclopent-2-en-1-yl}acetate

IUPAC name

methyl 2-(2-chloro-4-fluorophenyl)-2-{4-[4-(heptyloxy)benzamido]cyclopent-2-en-1-yl}acetate

SMILES

CCCCCCCOc(cc1)ccc1C(NC(C1)C=CC1C(C(OC)=O)c(ccc(F)c1)c1Cl)=O

InChI

InChI=1S/C28H33ClFNO4/c1-3-4-5-6-7-16-35-23-13-9-19(10-14-23)27(32)31-22-12-8-20(17-22)26(28(33)34-2)24-15-11-21(30)18-25(24)29/h8-15,18,20,22,26H,3-7,16-17H2,1-2H3,(H,31,32)

InChI Key

BGZATNTVUUAOOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19965055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.667

Distribution Coefficient, logD

7.667

Water Solubility, LogSw

-6.60

Polar Surface Area

53.063

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with V031-2415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2415?
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What is the minimum amount of V031-2415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2415
  • 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 V031-2415 available by request