8016-7934 Screening compound: 2-{[(1-methyl-1H-pyrrol-2-yl)methyl]amino}butan-1-ol

8016-7934 Screening compound: 2-{[(1-methyl-1H-pyrrol-2-yl)methyl]amino}butan-1-ol
8016-7934 Screening compound: 2-{[(1-methyl-1H-pyrrol-2-yl)methyl]amino}butan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7934
2-{[(1-methyl-1H-pyrrol-2-yl)methyl]amino}butan-1-ol

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

8016-7934

Molecular Formula

C10H18N2O (C10 H18 N2 O)

Compound Name

2-{[(1-methyl-1H-pyrrol-2-yl)methyl]amino}butan-1-ol

IUPAC name

2-{[(1-methyl-1H-pyrrol-2-yl)methyl]amino}butan-1-ol

SMILES

CCC(CO)NCc1cccn1C

InChI

InChI=1S/C10H18N2O/c1-3-9(8-13)11-7-10-5-4-6-12(10)2/h4-6,9,11,13H,3,7-8H2,1-2H3/t9-/m0/s1

InChI Key

FFCNPHFRGAZNGS-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05740133

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

182.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.219

Distribution Coefficient, logD

-0.136

Water Solubility, LogSw

-1.08

Polar Surface Area

31.988

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

8016-7934 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-7934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7934?
Check Price and Availability of 8016-7934, 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 8016-7934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7934
  • 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 8016-7934 available by request