V029-4031 Screening compound: 3-(5-chloro-1H-indol-3-yl)-3-(3-chlorophenyl)-1-(pyrrolidin-1-yl)propan-1-one

V029-4031 Screening compound: 3-(5-chloro-1H-indol-3-yl)-3-(3-chlorophenyl)-1-(pyrrolidin-1-yl)propan-1-one
V029-4031 Screening compound: 3-(5-chloro-1H-indol-3-yl)-3-(3-chlorophenyl)-1-(pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4031
3-(5-chloro-1H-indol-3-yl)-3-(3-chlorophenyl)-1-(pyrrolidin-1-yl)propan-1-one

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

V029-4031

Molecular Formula

C21H20Cl2N2O (C21 H20 Cl2 N2 O)

Compound Name

3-(5-chloro-1H-indol-3-yl)-3-(3-chlorophenyl)-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

3-(5-chloro-1H-indol-3-yl)-3-(3-chlorophenyl)-1-(pyrrolidin-1-yl)propan-1-one

SMILES

O=C(CC(c1c[nH]c(cc2)c1cc2Cl)c1cccc(Cl)c1)N1CCCC1

InChI

InChI=1S/C21H20Cl2N2O/c22-15-5-3-4-14(10-15)17(12-21(26)25-8-1-2-9-25)19-13-24-20-7-6-16(23)11-18(19)20/h3-7,10-11,13,17,24H,1-2,8-9,12H2/t17-/m1/s1

InChI Key

KPNXPUWAHFVHQY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD19784213

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

387.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.396

Distribution Coefficient, logD

5.396

Water Solubility, LogSw

-6.05

Polar Surface Area

26.325

Acid Dissociation Constant (pKa)

17.49

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V029-4031 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V029-4031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4031?
Check Price and Availability of V029-4031, 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 V029-4031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4031
  • 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 V029-4031 available by request