8015-6995 Screening compound: methyl 3-methyl-2-(1H-pyrrol-1-yl)butanoate

8015-6995 Screening compound: methyl 3-methyl-2-(1H-pyrrol-1-yl)butanoate
8015-6995 Screening compound: methyl 3-methyl-2-(1H-pyrrol-1-yl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6995
methyl 3-methyl-2-(1H-pyrrol-1-yl)butanoate

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

8015-6995

Molecular Formula

C10H15NO2 (C10 H15 NO2)

Compound Name

methyl 3-methyl-2-(1H-pyrrol-1-yl)butanoate

IUPAC name

methyl 3-methyl-2-(1H-pyrrol-1-yl)butanoate

SMILES

CC(C)C(C(OC)=O)n1cccc1

InChI

InChI=1S/C10H15NO2/c1-8(2)9(10(12)13-3)11-6-4-5-7-11/h4-9H,1-3H3/t9-/m0/s1

InChI Key

HIHWPYKPNOPVBM-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05257754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

181.23

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.249

Distribution Coefficient, logD

2.249

Water Solubility, LogSw

-1.77

Polar Surface Area

25.242

Acid Dissociation Constant (pKa)

21.19

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8015-6995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6995?
Check Price and Availability of 8015-6995, 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 8015-6995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6995
  • 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 8015-6995 available by request