V017-2629 Screening compound: 1-benzyl-4-(butan-2-yloxy)-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1H-indole

V017-2629 Screening compound: 1-benzyl-4-(butan-2-yloxy)-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1H-indole
V017-2629 Screening compound: 1-benzyl-4-(butan-2-yloxy)-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-2629
1-benzyl-4-(butan-2-yloxy)-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1H-indole

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

V017-2629

Molecular Formula

C31H35N3O3 (C31 H35 N3 O3)

Compound Name

1-benzyl-4-(butan-2-yloxy)-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1H-indole

IUPAC name

1-benzyl-4-(butan-2-yloxy)-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1H-indole

SMILES

CCC(C)Oc1cccc2c1cc(C(N(CC1)CCN1c(cccc1)c1OC)=O)n2Cc1ccccc1

InChI

InChI=1S/C31H35N3O3/c1-4-23(2)37-29-16-10-14-26-25(29)21-28(34(26)22-24-11-6-5-7-12-24)31(35)33-19-17-32(18-20-33)27-13-8-9-15-30(27)36-3/h5-16,21,23H,4,17-20,22H2,1-3H3/t23-/m0/s1

InChI Key

JPDQTBLZPKVTJV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14247644

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

497.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.610

Distribution Coefficient, logD

6.610

Water Solubility, LogSw

-5.78

Polar Surface Area

34.703

Acid Dissociation Constant (pKa)

25.73

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

V017-2629 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 V017-2629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-2629?
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What is the minimum amount of V017-2629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-2629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-2629
  • 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 V017-2629 available by request