SB04-0671 Screening compound: N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-N-methylpyridine-3-carboxamide

SB04-0671 Screening compound: N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-N-methylpyridine-3-carboxamide
SB04-0671 Screening compound: N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-N-methylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0671
N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-N-methylpyridine-3-carboxamide

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

SB04-0671

Molecular Formula

C21H33N5O3 (C21 H33 N5 O3)

Compound Name

N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-N-methylpyridine-3-carboxamide

IUPAC name

N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-N-methylpyridine-3-carboxamide

SMILES

CN(C)C(N(CC1)CC1N(CCN(C)C(c1cnccc1)=O)C1CCOCC1)=O

InChI

InChI=1S/C21H33N5O3/c1-23(2)21(28)25-10-6-19(16-25)26(18-7-13-29-14-8-18)12-11-24(3)20(27)17-5-4-9-22-15-17/h4-5,9,15,18-19H,6-8,10-14,16H2,1-3H3/t19-/m1/s1

InChI Key

NEDLOAOXZHRJIB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32245746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.228

Distribution Coefficient, logD

-2.254

Water Solubility, LogSw

-0.22

Polar Surface Area

53.779

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

9.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SB04-0671 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB04-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0671?
Check Price and Availability of SB04-0671, 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 SB04-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0671
  • 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 SB04-0671 available by request