V017-3980 Screening compound: N-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(butyl)amino]-2-oxoethyl}-4-methoxy-N-(3-methoxypropyl)benzamide

V017-3980 Screening compound: N-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(butyl)amino]-2-oxoethyl}-4-methoxy-N-(3-methoxypropyl)benzamide
V017-3980 Screening compound: N-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(butyl)amino]-2-oxoethyl}-4-methoxy-N-(3-methoxypropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3980
N-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(butyl)amino]-2-oxoethyl}-4-methoxy-N-(3-methoxypropyl)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

V017-3980

Molecular Formula

C30H38BrN3O4 (C30 H38 BrN3 O4)

Compound Name

N-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(butyl)amino]-2-oxoethyl}-4-methoxy-N-(3-methoxypropyl)benzamide

IUPAC name

N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butyl-2-[1-(4-methoxyphenyl)-N-(3-methoxypropyl)formamido]acetamide

SMILES

CCCCN(Cc1cccn1Cc(cc1)ccc1Br)C(CN(CCCOC)C(c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C30H38BrN3O4/c1-4-5-17-33(22-27-8-6-18-32(27)21-24-9-13-26(31)14-10-24)29(35)23-34(19-7-20-37-2)30(36)25-11-15-28(38-3)16-12-25/h6,8-16,18H,4-5,7,17,19-23H2,1-3H3

InChI Key

YTUJVYANOWCDJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19732436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.284

Distribution Coefficient, logD

5.284

Water Solubility, LogSw

-5.11

Polar Surface Area

50.318

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V017-3980 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 V017-3980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3980?
Check Price and Availability of V017-3980, 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 V017-3980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3980
  • 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 V017-3980 available by request