C800-1150 Screening compound: 1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carbonitrile

C800-1150 Screening compound: 1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carbonitrile
C800-1150 Screening compound: 1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-1150
1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carbonitrile

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

C800-1150

Molecular Formula

C14H14N2O (C14 H14 N2 O)

Compound Name

1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carbonitrile

IUPAC name

1-(3-methoxyphenyl)-25-dimethyl-1H-pyrrole-3-carbonitrile

SMILES

Cc1cc(C#N)c(C)n1-c1cccc(OC)c1

InChI

InChI=1S/C14H14N2O/c1-10-7-12(9-15)11(2)16(10)13-5-4-6-14(8-13)17-3/h4-8H,1-3H3

InChI Key

UADCVXBLJZGWOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11938189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.803

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-3.11

Polar Surface Area

27.503

Acid Dissociation Constant (pKa)

31.86

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C800-1150 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C800-1150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-1150?
Check Price and Availability of C800-1150, 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 C800-1150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-1150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-1150
  • 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 C800-1150 available by request