D399-1230 Screening compound: methyl 4-{[2-(3-methylphenyl)pyrrolidin-1-yl]methyl}benzoate

D399-1230 Screening compound: methyl 4-{[2-(3-methylphenyl)pyrrolidin-1-yl]methyl}benzoate
D399-1230 Screening compound: methyl 4-{[2-(3-methylphenyl)pyrrolidin-1-yl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-1230
methyl 4-{[2-(3-methylphenyl)pyrrolidin-1-yl]methyl}benzoate

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

D399-1230

Molecular Formula

C20H23NO2 (C20 H23 NO2)

Compound Name

methyl 4-{[2-(3-methylphenyl)pyrrolidin-1-yl]methyl}benzoate

IUPAC name

methyl 4-{[2-(3-methylphenyl)pyrrolidin-1-yl]methyl}benzoate

SMILES

Cc1cccc(C2N(Cc(cc3)ccc3C(OC)=O)CCC2)c1

InChI

InChI=1S/C20H23NO2/c1-15-5-3-6-18(13-15)19-7-4-12-21(19)14-16-8-10-17(11-9-16)20(22)23-2/h3,5-6,8-11,13,19H,4,7,12,14H2,1-2H3/t19-/m0/s1

InChI Key

IWRDYCZIVDKBNX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14826542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

3.835

Water Solubility, LogSw

-4.30

Polar Surface Area

25.099

Acid Dissociation Constant (pKa)

24.78

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

D399-1230 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D399-1230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-1230?
Check Price and Availability of D399-1230, 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 D399-1230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-1230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-1230
  • 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 D399-1230 available by request