V015-1314 Screening compound: 2-[1-(adamantan-1-yl)-N-(3-methoxypropyl)formamido]-N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butylacetamide

V015-1314 Screening compound: 2-[1-(adamantan-1-yl)-N-(3-methoxypropyl)formamido]-N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butylacetamide
V015-1314 Screening compound: 2-[1-(adamantan-1-yl)-N-(3-methoxypropyl)formamido]-N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-1314
2-[1-(adamantan-1-yl)-N-(3-methoxypropyl)formamido]-N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butylacetamide

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

V015-1314

Molecular Formula

C33H46BrN3O3 (C33 H46 BrN3 O3)

Compound Name

2-[1-(adamantan-1-yl)-N-(3-methoxypropyl)formamido]-N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butylacetamide

IUPAC name

2-[1-(adamantan-1-yl)-N-(3-methoxypropyl)formamido]-N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butylacetamide

SMILES

CCCCN(Cc1cccn1Cc(cc1)ccc1Br)C(CN(CCCOC)C(C1(CC(C2)C3)CC3CC2C1)=O)=O

InChI

InChI=1S/C33H46BrN3O3/c1-3-4-12-36(23-30-7-5-13-35(30)22-25-8-10-29(34)11-9-25)31(38)24-37(14-6-15-40-2)32(39)33-19-26-16-27(20-33)18-28(17-26)21-33/h5,7-11,13,26-28H,3-4,6,12,14-24H2,1-2H3

InChI Key

LWCSPJWSGLFFJV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

612.65

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

7.194

Distribution Coefficient, logD

7.194

Water Solubility, LogSw

-5.62

Polar Surface Area

42.808

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

References: we are preparing a list of scientific research reports with V015-1314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-1314?
Check Price and Availability of V015-1314, 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 V015-1314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-1314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-1314
  • 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 V015-1314 available by request