V008-6197 Screening compound: ethyl 2-[5-(3,4-difluorobenzamido)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-1-yl]acetate

V008-6197 Screening compound: ethyl 2-[5-(3,4-difluorobenzamido)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-1-yl]acetate
V008-6197 Screening compound: ethyl 2-[5-(3,4-difluorobenzamido)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-6197
ethyl 2-[5-(3,4-difluorobenzamido)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-1-yl]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

V008-6197

Molecular Formula

C30H25F2N3O5 (C30 H25 F2 N3 O5)

Compound Name

ethyl 2-[5-(3,4-difluorobenzamido)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-1-yl]acetate

IUPAC name

ethyl 2-[5-(34-difluorobenzamido)-3-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-1-yl]acetate

SMILES

CCOC(Cn1c(ccc(NC(c(cc2)cc(F)c2F)=O)c2)c2c(C(C(N(CC2)Cc3c2cccc3)=O)=O)c1)=O

InChI

InChI=1S/C30H25F2N3O5/c1-2-40-27(36)17-35-16-23(28(37)30(39)34-12-11-18-5-3-4-6-20(18)15-34)22-14-21(8-10-26(22)35)33-29(38)19-7-9-24(31)25(32)13-19/h3-10,13-14,16H,2,11-12,15,17H2,1H3,(H,33,38)

InChI Key

BTLHBQFNPOTTJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.692

Distribution Coefficient, logD

4.686

Water Solubility, LogSw

-4.18

Polar Surface Area

75.541

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V008-6197 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 V008-6197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-6197?
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What is the minimum amount of V008-6197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-6197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-6197
  • 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 V008-6197 available by request