V027-9680 Screening compound: 3-chloro-N-{2-[{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}(isobutyl)amino]-2-oxoethyl}-N-(2-methoxyethyl)benzamide

V027-9680 Screening compound: 3-chloro-N-{2-[{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}(isobutyl)amino]-2-oxoethyl}-N-(2-methoxyethyl)benzamide
V027-9680 Screening compound: 3-chloro-N-{2-[{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}(isobutyl)amino]-2-oxoethyl}-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9680
3-chloro-N-{2-[{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}(isobutyl)amino]-2-oxoethyl}-N-(2-methoxyethyl)benzamide

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

V027-9680

Molecular Formula

C28H33Cl2N3O3 (C28 H33 Cl2 N3 O3)

Compound Name

3-chloro-N-{2-[{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}(isobutyl)amino]-2-oxoethyl}-N-(2-methoxyethyl)benzamide

IUPAC name

2-[1-(3-chlorophenyl)-N-(2-methoxyethyl)formamido]-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-methylpropyl)acetamide

SMILES

CC(C)CN(Cc1cccn1Cc(cccc1)c1Cl)C(CN(CCOC)C(c1cc(Cl)ccc1)=O)=O

InChI

InChI=1S/C28H33Cl2N3O3/c1-21(2)17-33(19-25-11-7-13-31(25)18-23-8-4-5-12-26(23)30)27(34)20-32(14-15-36-3)28(35)22-9-6-10-24(29)16-22/h4-13,16,21H,14-15,17-20H2,1-3H3

InChI Key

FYUFKGXOSPNRSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19740549

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.208

Distribution Coefficient, logD

5.208

Water Solubility, LogSw

-5.71

Polar Surface Area

42.796

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

V027-9680 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V027-9680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9680?
Check Price and Availability of V027-9680, 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 V027-9680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9680
  • 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 V027-9680 available by request