S823-0281 Screening compound: N~1~-[(3S,4R)-4-(hydroxymethyl)-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopentanecarboxamide

S823-0281 Screening compound: N~1~-[(3S,4R)-4-(hydroxymethyl)-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopentanecarboxamide
S823-0281 Screening compound: N~1~-[(3S,4R)-4-(hydroxymethyl)-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-0281
N~1~-[(3S,4R)-4-(hydroxymethyl)-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopentanecarboxamide

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

S823-0281

Molecular Formula

C15H22N4O2 (C15 H22 N4 O2)

Compound Name

N~1~-[(3S,4R)-4-(hydroxymethyl)-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopentanecarboxamide

IUPAC name

n/a

SMILES

OC[C@@H](CN(C1)c2ncncc2)[C@H]1NC(C1CCCC1)=O

InChI

InChI=1S/C15H22N4O2/c20-9-12-7-19(14-5-6-16-10-17-14)8-13(12)18-15(21)11-3-1-2-4-11/h5-6,10-13,20H,1-4,7-9H2,(H,18,21)/t12-,13+/m1/s1

InChI Key

IIHSCSXZTJEPCH-OLZOCXBDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.37

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

0.851

Distribution Coefficient, logD

0.850

Water Solubility, LogSw

-1.28

Polar Surface Area

65.587

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with S823-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-0281?
Check Price and Availability of S823-0281, 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 S823-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-0281
  • 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 S823-0281 available by request