V007-0899 Screening compound: 2-(benzyloxy)-1-(1-{4-[3-(dimethylamino)propoxy]phenyl}-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)ethan-1-one

V007-0899 Screening compound: 2-(benzyloxy)-1-(1-{4-[3-(dimethylamino)propoxy]phenyl}-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)ethan-1-one
V007-0899 Screening compound: 2-(benzyloxy)-1-(1-{4-[3-(dimethylamino)propoxy]phenyl}-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-0899
2-(benzyloxy)-1-(1-{4-[3-(dimethylamino)propoxy]phenyl}-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)ethan-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

V007-0899

Molecular Formula

C32H37N3O4 (C32 H37 N3 O4)

Compound Name

2-(benzyloxy)-1-(1-{4-[3-(dimethylamino)propoxy]phenyl}-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)ethan-1-one

IUPAC name

2-(benzyloxy)-1-(1-{4-[3-(dimethylamino)propoxy]phenyl}-6-methoxy-1H2H3H4H9H-pyrido[34-b]indol-2-yl)ethan-1-one

SMILES

CN(C)CCCOc1ccc(C(c2c(CC3)c(cc(cc4)OC)c4[nH]2)N3C(COCc2ccccc2)=O)cc1

InChI

InChI=1S/C32H37N3O4/c1-34(2)17-7-19-39-25-12-10-24(11-13-25)32-31-27(28-20-26(37-3)14-15-29(28)33-31)16-18-35(32)30(36)22-38-21-23-8-5-4-6-9-23/h4-6,8-15,20,32-33H,7,16-19,21-22H2,1-3H3/t32-/m1/s1

InChI Key

CBBMTTKDQQBGAN-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD19965576

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

527.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.186

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-5.20

Polar Surface Area

52.806

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

9.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.40

V007-0899 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Indole Derivatives (10091 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V007-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-0899?
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What is the minimum amount of V007-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-0899
  • 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 V007-0899 available by request