8006-4097 Screening compound: tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

8006-4097 Screening compound: tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
8006-4097 Screening compound: tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4097
tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

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

8006-4097

Molecular Formula

C17H24N2O3 (C17 H24 N2 O3)

Compound Name

tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

IUPAC name

tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CCC1)C1C(Nc1cc(C)ccc1)=O)=O

InChI

InChI=1S/C17H24N2O3/c1-12-7-5-8-13(11-12)18-15(20)14-9-6-10-19(14)16(21)22-17(2,3)4/h5,7-8,11,14H,6,9-10H2,1-4H3,(H,18,20)/t14-/m0/s1

InChI Key

IEMZXGFKOZXEQP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00824911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.348

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.53

Polar Surface Area

45.471

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

8006-4097 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8006-4097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4097?
Check Price and Availability of 8006-4097, 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 8006-4097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4097
  • 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 8006-4097 available by request