S823-2555 Screening compound: 4-fluoro-N-[4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide

S823-2555 Screening compound: 4-fluoro-N-[4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
S823-2555 Screening compound: 4-fluoro-N-[4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-2555
4-fluoro-N-[4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide

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

S823-2555

Molecular Formula

C16H17FN4O2 (C16 H17 FN4 O2)

Compound Name

4-fluoro-N-[4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide

IUPAC name

4-fluoro-N-[(3S4R)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide

SMILES

OC[C@@H](CN(C1)c2ncccn2)[C@H]1NC(c(cc1)ccc1F)=O

InChI

InChI=1S/C16H17FN4O2/c17-13-4-2-11(3-5-13)15(23)20-14-9-21(8-12(14)10-22)16-18-6-1-7-19-16/h1-7,12,14,22H,8-10H2,(H,20,23)/t12-,14+/m1/s1

InChI Key

BXFXDPIJMXLQHU-OCCSQVGLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.243

Distribution Coefficient, logD

1.243

Water Solubility, LogSw

-1.77

Polar Surface Area

63.738

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.25

S823-2555 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S823-2555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-2555?
Check Price and Availability of S823-2555, 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 S823-2555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-2555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-2555
  • 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 S823-2555 available by request