V018-0989 Screening compound: N~1~-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(butyl)amino]-2-oxoethyl}-4-ethyl-N~1~-(2-methoxyethyl)benzamide

V018-0989 Screening compound: N~1~-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(butyl)amino]-2-oxoethyl}-4-ethyl-N~1~-(2-methoxyethyl)benzamide
V018-0989 Screening compound: N~1~-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(butyl)amino]-2-oxoethyl}-4-ethyl-N~1~-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0989
N~1~-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(butyl)amino]-2-oxoethyl}-4-ethyl-N~1~-(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

V018-0989

Molecular Formula

C30H38BrN3O3 (C30 H38 BrN3 O3)

Compound Name

N~1~-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(butyl)amino]-2-oxoethyl}-4-ethyl-N~1~-(2-methoxyethyl)benzamide

IUPAC name

N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butyl-2-[1-(4-ethylphenyl)-N-(2-methoxyethyl)formamido]acetamide

SMILES

CCCCN(Cc1cccn1Cc(cc1)ccc1Br)C(CN(CCOC)C(c1ccc(CC)cc1)=O)=O

InChI

InChI=1S/C30H38BrN3O3/c1-4-6-17-33(22-28-8-7-18-32(28)21-25-11-15-27(31)16-12-25)29(35)23-34(19-20-37-3)30(36)26-13-9-24(5-2)10-14-26/h7-16,18H,4-6,17,19-23H2,1-3H3

InChI Key

YABSUWIBEPZROQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19738824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.892

Distribution Coefficient, logD

5.892

Water Solubility, LogSw

-5.37

Polar Surface Area

42.774

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V018-0989 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V018-0989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0989?
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What is the minimum amount of V018-0989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0989
  • 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 V018-0989 available by request