V002-2042 Screening compound: methyl 5-{[1-(2-ethoxy-2-oxoethyl)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-5-yl]carbamoyl}pentanoate

V002-2042 Screening compound: methyl 5-{[1-(2-ethoxy-2-oxoethyl)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-5-yl]carbamoyl}pentanoate
V002-2042 Screening compound: methyl 5-{[1-(2-ethoxy-2-oxoethyl)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-5-yl]carbamoyl}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-2042
methyl 5-{[1-(2-ethoxy-2-oxoethyl)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-5-yl]carbamoyl}pentanoate

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

V002-2042

Molecular Formula

C30H33N3O7 (C30 H33 N3 O7)

Compound Name

methyl 5-{[1-(2-ethoxy-2-oxoethyl)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-5-yl]carbamoyl}pentanoate

IUPAC name

methyl 5-{[1-(2-ethoxy-2-oxoethyl)-3-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)acetyl]-1H-indol-5-yl]carbamoyl}pentanoate

SMILES

CCOC(Cn1c(ccc(NC(CCCCC(OC)=O)=O)c2)c2c(C(C(N(CC2)Cc3c2cccc3)=O)=O)c1)=O

InChI

InChI=1S/C30H33N3O7/c1-3-40-28(36)19-33-18-24(29(37)30(38)32-15-14-20-8-4-5-9-21(20)17-32)23-16-22(12-13-25(23)33)31-26(34)10-6-7-11-27(35)39-2/h4-5,8-9,12-13,16,18H,3,6-7,10-11,14-15,17,19H2,1-2H3,(H,31,34)

InChI Key

DYHSGGQFPWMBMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.996

Distribution Coefficient, logD

2.996

Water Solubility, LogSw

-3.31

Polar Surface Area

96.178

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

V002-2042 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V002-2042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-2042?
Check Price and Availability of V002-2042, 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 V002-2042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-2042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-2042
  • 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 V002-2042 available by request