S823-2100 Screening compound: 3-fluoro-N-[4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-methoxybenzamide

S823-2100 Screening compound: 3-fluoro-N-[4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-methoxybenzamide
S823-2100 Screening compound: 3-fluoro-N-[4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-2100
3-fluoro-N-[4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-methoxybenzamide

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

S823-2100

Molecular Formula

C17H19FN4O3 (C17 H19 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(N[C@@H](C1)[C@@H](CO)CN1c1ncccn1)=O)c1)c1F

InChI

InChI=1S/C17H19FN4O3/c1-25-15-4-3-11(7-13(15)18)16(24)21-14-9-22(8-12(14)10-23)17-19-5-2-6-20-17/h2-7,12,14,23H,8-10H2,1H3,(H,21,24)/t12-,14+/m1/s1

InChI Key

MWHDLHAAMFKQEU-OCCSQVGLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.324

Distribution Coefficient, logD

1.324

Water Solubility, LogSw

-2.02

Polar Surface Area

71.368

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.29

References: we are preparing a list of scientific research reports with S823-2100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-2100?
Check Price and Availability of S823-2100, 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 S823-2100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-2100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-2100
  • 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 S823-2100 available by request