SC02-0120 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-fluorobenzoyl)amino]-3-(2-methoxyethyl)-1-pyrrolidinecarboxamide

SC02-0120 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-fluorobenzoyl)amino]-3-(2-methoxyethyl)-1-pyrrolidinecarboxamide
SC02-0120 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-fluorobenzoyl)amino]-3-(2-methoxyethyl)-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0120
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-fluorobenzoyl)amino]-3-(2-methoxyethyl)-1-pyrrolidinecarboxamide

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

SC02-0120

Molecular Formula

C23H26FN3O5 (C23 H26 FN3 O5)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-fluorobenzoyl)amino]-3-(2-methoxyethyl)-1-pyrrolidinecarboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-3-(4-fluorobenzamido)-3-(2-methoxyethyl)pyrrolidine-1-carboxamide

SMILES

COCCC(CC1)(CN1C(Nc(cc1)cc2c1OCCO2)=O)NC(c(cc1)ccc1F)=O

InChI

InChI=1S/C23H26FN3O5/c1-30-11-9-23(26-21(28)16-2-4-17(24)5-3-16)8-10-27(15-23)22(29)25-18-6-7-19-20(14-18)32-13-12-31-19/h2-7,14H,8-13,15H2,1H3,(H,25,29)(H,26,28)/t23-/m1/s1

InChI Key

INLIVXQYBQAAID-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD32252404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.796

Distribution Coefficient, logD

1.796

Water Solubility, LogSw

-2.45

Polar Surface Area

74.436

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

SC02-0120 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC02-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0120?
Check Price and Availability of SC02-0120, 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 SC02-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0120
  • 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 SC02-0120 available by request