V012-1239 Screening compound: 1-benzyl-4-(3,4,5-trimethoxybenzamido)-1H-indol-5-yl N,N-diethylcarbamate

V012-1239 Screening compound: 1-benzyl-4-(3,4,5-trimethoxybenzamido)-1H-indol-5-yl N,N-diethylcarbamate
V012-1239 Screening compound: 1-benzyl-4-(3,4,5-trimethoxybenzamido)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-1239
1-benzyl-4-(3,4,5-trimethoxybenzamido)-1H-indol-5-yl N,N-diethylcarbamate

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

V012-1239

Molecular Formula

C30H33N3O6 (C30 H33 N3 O6)

Compound Name

1-benzyl-4-(3,4,5-trimethoxybenzamido)-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

1-benzyl-4-(345-trimethoxybenzamido)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc1ccccc1)c2NC(c(cc1OC)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C30H33N3O6/c1-6-32(7-2)30(35)39-24-14-13-23-22(15-16-33(23)19-20-11-9-8-10-12-20)27(24)31-29(34)21-17-25(36-3)28(38-5)26(18-21)37-4/h8-18H,6-7,19H2,1-5H3,(H,31,34)

InChI Key

PMPITAGOBDLJTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19948085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

4.544

Water Solubility, LogSw

-4.44

Polar Surface Area

68.718

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

V012-1239 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 V012-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-1239?
Check Price and Availability of V012-1239, 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 V012-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-1239
  • 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 V012-1239 available by request