V031-2879 Screening compound: 2-[1-(3-bromophenyl)-N-(propan-2-yl)formamido]-N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

V031-2879 Screening compound: 2-[1-(3-bromophenyl)-N-(propan-2-yl)formamido]-N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
V031-2879 Screening compound: 2-[1-(3-bromophenyl)-N-(propan-2-yl)formamido]-N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2879
2-[1-(3-bromophenyl)-N-(propan-2-yl)formamido]-N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

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

V031-2879

Molecular Formula

C33H38BrN3O2 (C33 H38 BrN3 O2)

Compound Name

2-[1-(3-bromophenyl)-N-(propan-2-yl)formamido]-N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

IUPAC name

2-[1-(3-bromophenyl)-N-(propan-2-yl)formamido]-N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

SMILES

CC(C)N(CC(N(CCc1c[nH]c2c1cccc2)Cc1ccc(C(C)(C)C)cc1)=O)C(c1cccc(Br)c1)=O

InChI

InChI=1S/C33H38BrN3O2/c1-23(2)37(32(39)25-9-8-10-28(34)19-25)22-31(38)36(21-24-13-15-27(16-14-24)33(3,4)5)18-17-26-20-35-30-12-7-6-11-29(26)30/h6-16,19-20,23,35H,17-18,21-22H2,1-5H3

InChI Key

MVJGVPACARUBKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19773518

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

588.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.330

Distribution Coefficient, logD

7.330

Water Solubility, LogSw

-5.88

Polar Surface Area

41.726

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V031-2879 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 V031-2879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2879?
Check Price and Availability of V031-2879, 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 V031-2879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2879
  • 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 V031-2879 available by request