D399-1557 Screening compound: 2-(4-methoxyphenyl)-1-{[5-(2-nitrophenyl)furan-2-yl]methyl}pyrrolidine

D399-1557 Screening compound: 2-(4-methoxyphenyl)-1-{[5-(2-nitrophenyl)furan-2-yl]methyl}pyrrolidine
D399-1557 Screening compound: 2-(4-methoxyphenyl)-1-{[5-(2-nitrophenyl)furan-2-yl]methyl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-1557
2-(4-methoxyphenyl)-1-{[5-(2-nitrophenyl)furan-2-yl]methyl}pyrrolidine

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

D399-1557

Molecular Formula

C22H22N2O4 (C22 H22 N2 O4)

Compound Name

2-(4-methoxyphenyl)-1-{[5-(2-nitrophenyl)furan-2-yl]methyl}pyrrolidine

IUPAC name

2-(4-methoxyphenyl)-1-{[5-(2-nitrophenyl)furan-2-yl]methyl}pyrrolidine

SMILES

COc1ccc(C2N(Cc3ccc(-c(cccc4)c4[N+]([O-])=O)o3)CCC2)cc1

InChI

InChI=1S/C22H22N2O4/c1-27-17-10-8-16(9-11-17)20-7-4-14-23(20)15-18-12-13-22(28-18)19-5-2-3-6-21(19)24(25)26/h2-3,5-6,8-13,20H,4,7,14-15H2,1H3/t20-/m0/s1

InChI Key

RBVNERPDMZVXIP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14826567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.355

Distribution Coefficient, logD

4.323

Water Solubility, LogSw

-4.40

Polar Surface Area

52.119

Acid Dissociation Constant (pKa)

25.18

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D399-1557 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D399-1557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-1557?
Check Price and Availability of D399-1557, 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 D399-1557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-1557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-1557
  • 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 D399-1557 available by request