V009-9564 Screening compound: N~1~-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(butyl)amino]-2-oxoethyl}-N~1~-butyl-3,5-dimethoxybenzamide

V009-9564 Screening compound: N~1~-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(butyl)amino]-2-oxoethyl}-N~1~-butyl-3,5-dimethoxybenzamide
V009-9564 Screening compound: N~1~-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(butyl)amino]-2-oxoethyl}-N~1~-butyl-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-9564
N~1~-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(butyl)amino]-2-oxoethyl}-N~1~-butyl-3,5-dimethoxybenzamide

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

V009-9564

Molecular Formula

C31H40BrN3O4 (C31 H40 BrN3 O4)

Compound Name

N~1~-{2-[{[1-(4-bromobenzyl)-1H-pyrrol-2-yl]methyl}(butyl)amino]-2-oxoethyl}-N~1~-butyl-3,5-dimethoxybenzamide

IUPAC name

N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butyl-2-[N-butyl-1-(35-dimethoxyphenyl)formamido]acetamide

SMILES

CCCCN(CC(N(CCCC)Cc1cccn1Cc(cc1)ccc1Br)=O)C(c1cc(OC)cc(OC)c1)=O

InChI

InChI=1S/C31H40BrN3O4/c1-5-7-15-34(22-27-10-9-17-33(27)21-24-11-13-26(32)14-12-24)30(36)23-35(16-8-6-2)31(37)25-18-28(38-3)20-29(19-25)39-4/h9-14,17-20H,5-8,15-16,21-23H2,1-4H3

InChI Key

DGEZUHPUZQHXSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19732473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

598.58

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

6.571

Distribution Coefficient, logD

6.571

Water Solubility, LogSw

-5.55

Polar Surface Area

49.519

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.94

References: we are preparing a list of scientific research reports with V009-9564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-9564?
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What is the minimum amount of V009-9564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-9564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-9564
  • 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 V009-9564 available by request