V018-0964 Screening compound: N-{[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)carbamoyl]methyl}-N-propylbutanamide

V018-0964 Screening compound: N-{[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)carbamoyl]methyl}-N-propylbutanamide
V018-0964 Screening compound: N-{[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)carbamoyl]methyl}-N-propylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0964
N-{[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)carbamoyl]methyl}-N-propylbutanamide

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

V018-0964

Molecular Formula

C27H38BrN3O2 (C27 H38 BrN3 O2)

Compound Name

N-{[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)carbamoyl]methyl}-N-propylbutanamide

IUPAC name

N-{[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)carbamoyl]methyl}-N-propylbutanamide

SMILES

CCCC(N(CCC)CC(N(Cc1cccn1Cc(cc1)ccc1Br)C1CCCCC1)=O)=O

InChI

InChI=1S/C27H38BrN3O2/c1-3-9-26(32)30(17-4-2)21-27(33)31(24-10-6-5-7-11-24)20-25-12-8-18-29(25)19-22-13-15-23(28)16-14-22/h8,12-16,18,24H,3-7,9-11,17,19-21H2,1-2H3

InChI Key

ZYEBDCYYYDJNLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19738804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.142

Distribution Coefficient, logD

6.142

Water Solubility, LogSw

-5.40

Polar Surface Area

33.171

Acid Dissociation Constant (pKa)

23.87

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with V018-0964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0964?
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What is the minimum amount of V018-0964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0964
  • 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 V018-0964 available by request