S823-2507 Screening compound: N-[4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-methylpyridine-3-carboxamide

S823-2507 Screening compound: N-[4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-methylpyridine-3-carboxamide
S823-2507 Screening compound: N-[4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-methylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-2507
N-[4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-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

S823-2507

Molecular Formula

C16H19N5O2 (C16 H19 N5 O2)

Compound Name

N-[4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-methylpyridine-3-carboxamide

IUPAC name

N-[(3S4R)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-methylpyridine-3-carboxamide

SMILES

Cc(ccnc1)c1C(N[C@@H](C1)[C@@H](CO)CN1c1ncccn1)=O

InChI

InChI=1S/C16H19N5O2/c1-11-3-6-17-7-13(11)15(23)20-14-9-21(8-12(14)10-22)16-18-4-2-5-19-16/h2-7,12,14,22H,8-10H2,1H3,(H,20,23)/t12-,14+/m1/s1

InChI Key

CDQBTYHKQANELK-OCCSQVGLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.845

Distribution Coefficient, logD

0.845

Water Solubility, LogSw

-1.51

Polar Surface Area

73.256

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

S823-2507 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 S823-2507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-2507?
Check Price and Availability of S823-2507, 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 S823-2507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-2507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-2507
  • 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 S823-2507 available by request