V003-1631 Screening compound: ethyl 2-(4-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-2-cyclopentenyl)-2-(3-methoxyphenyl)acetate

V003-1631 Screening compound: ethyl 2-(4-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-2-cyclopentenyl)-2-(3-methoxyphenyl)acetate
V003-1631 Screening compound: ethyl 2-(4-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-2-cyclopentenyl)-2-(3-methoxyphenyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-1631
ethyl 2-(4-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-2-cyclopentenyl)-2-(3-methoxyphenyl)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

V003-1631

Molecular Formula

C25H24ClNO4S (C25 H24 ClNO4 S)

Compound Name

ethyl 2-(4-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-2-cyclopentenyl)-2-(3-methoxyphenyl)acetate

IUPAC name

ethyl 2-[4-(3-chloro-1-benzothiophene-2-amido)cyclopent-2-en-1-yl]-2-(3-methoxyphenyl)acetate

SMILES

CCOC(C(C(C1)C=CC1NC(c(sc1c2cccc1)c2Cl)=O)c1cc(OC)ccc1)=O

InChI

InChI=1S/C25H24ClNO4S/c1-3-31-25(29)21(15-7-6-8-18(14-15)30-2)16-11-12-17(13-16)27-24(28)23-22(26)19-9-4-5-10-20(19)32-23/h4-12,14,16-17,21H,3,13H2,1-2H3,(H,27,28)

InChI Key

VVKUCLQQXYJUJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19943962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.009

Distribution Coefficient, logD

6.009

Water Solubility, LogSw

-6.32

Polar Surface Area

53.516

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

28.00

V003-1631 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V003-1631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1631?
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What is the minimum amount of V003-1631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1631
  • 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 V003-1631 available by request