V007-5889 Screening compound: ethyl 4-[3-(1-benzyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanoyl]piperazine-1-carboxylate

V007-5889 Screening compound: ethyl 4-[3-(1-benzyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanoyl]piperazine-1-carboxylate
V007-5889 Screening compound: ethyl 4-[3-(1-benzyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanoyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-5889
ethyl 4-[3-(1-benzyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanoyl]piperazine-1-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

V007-5889

Molecular Formula

C37H37N3O4 (C37 H37 N3 O4)

Compound Name

ethyl 4-[3-(1-benzyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanoyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[3-(1-benzyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanoyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CC(c1cn(Cc2ccccc2)c2c1cccc2)c1cc(Oc2ccccc2)ccc1)=O)=O

InChI

InChI=1S/C37H37N3O4/c1-2-43-37(42)39-22-20-38(21-23-39)36(41)25-33(29-14-11-17-31(24-29)44-30-15-7-4-8-16-30)34-27-40(26-28-12-5-3-6-13-28)35-19-10-9-18-32(34)35/h3-19,24,27,33H,2,20-23,25-26H2,1H3/t33-/m1/s1

InChI Key

OHVMXBHRRMGRDW-MGBGTMOVSA-N

MDL Number (MFCD)

MFCD19748728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.928

Distribution Coefficient, logD

6.928

Water Solubility, LogSw

-5.85

Polar Surface Area

47.348

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.30

V007-5889 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V007-5889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-5889?
Check Price and Availability of V007-5889, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V007-5889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-5889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-5889
  • 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 V007-5889 available by request