V014-5960 Screening compound: ethyl 2-(3,4-dimethoxyphenyl)-2-[4-(3-methyl-1-benzofuran-2-amido)cyclopent-2-en-1-yl]acetate

V014-5960 Screening compound: ethyl 2-(3,4-dimethoxyphenyl)-2-[4-(3-methyl-1-benzofuran-2-amido)cyclopent-2-en-1-yl]acetate
V014-5960 Screening compound: ethyl 2-(3,4-dimethoxyphenyl)-2-[4-(3-methyl-1-benzofuran-2-amido)cyclopent-2-en-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5960
ethyl 2-(3,4-dimethoxyphenyl)-2-[4-(3-methyl-1-benzofuran-2-amido)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

V014-5960

Molecular Formula

C27H29NO6 (C27 H29 NO6)

Compound Name

ethyl 2-(3,4-dimethoxyphenyl)-2-[4-(3-methyl-1-benzofuran-2-amido)cyclopent-2-en-1-yl]acetate

IUPAC name

ethyl 2-(34-dimethoxyphenyl)-2-[4-(3-methyl-1-benzofuran-2-amido)cyclopent-2-en-1-yl]acetate

SMILES

CCOC(C(C(C1)C=CC1NC(c1c(C)c(cccc2)c2o1)=O)c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C27H29NO6/c1-5-33-27(30)24(18-11-13-22(31-3)23(15-18)32-4)17-10-12-19(14-17)28-26(29)25-16(2)20-8-6-7-9-21(20)34-25/h6-13,15,17,19,24H,5,14H2,1-4H3,(H,28,29)

InChI Key

MGGMBNHRXYQTPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19965031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.078

Distribution Coefficient, logD

5.078

Water Solubility, LogSw

-5.09

Polar Surface Area

69.012

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V014-5960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5960?
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What is the minimum amount of V014-5960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5960
  • 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 V014-5960 available by request