V009-9561 Screening compound: N-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(cyclohexyl)amino]-2-oxoethyl}-2,4-dimethoxy-N-propylbenzamide

V009-9561 Screening compound: N-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(cyclohexyl)amino]-2-oxoethyl}-2,4-dimethoxy-N-propylbenzamide
V009-9561 Screening compound: N-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(cyclohexyl)amino]-2-oxoethyl}-2,4-dimethoxy-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-9561
N-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(cyclohexyl)amino]-2-oxoethyl}-2,4-dimethoxy-N-propylbenzamide

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

V009-9561

Molecular Formula

C32H40BrN3O4 (C32 H40 BrN3 O4)

Compound Name

N-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(cyclohexyl)amino]-2-oxoethyl}-2,4-dimethoxy-N-propylbenzamide

IUPAC name

N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexyl-2-[1-(24-dimethoxyphenyl)-N-propylformamido]acetamide

SMILES

CCCN(CC(N(Cc1cccn1Cc(cc1)ccc1Br)C1CCCCC1)=O)C(c(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C32H40BrN3O4/c1-4-18-35(32(38)29-17-16-28(39-2)20-30(29)40-3)23-31(37)36(26-9-6-5-7-10-26)22-27-11-8-19-34(27)21-24-12-14-25(33)15-13-24/h8,11-17,19-20,26H,4-7,9-10,18,21-23H2,1-3H3

InChI Key

QZDGJQYAXHGVCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19729893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

610.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.424

Distribution Coefficient, logD

6.424

Water Solubility, LogSw

-5.70

Polar Surface Area

48.601

Acid Dissociation Constant (pKa)

23.01

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

V009-9561 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V009-9561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-9561?
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What is the minimum amount of V009-9561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-9561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-9561
  • 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 V009-9561 available by request