S720-2159 Screening compound: 1-(1-methyl-1H-imidazole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide

S720-2159 Screening compound: 1-(1-methyl-1H-imidazole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
S720-2159 Screening compound: 1-(1-methyl-1H-imidazole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S720-2159
1-(1-methyl-1H-imidazole-2-carbonyl)-4-phenoxypyrrolidine-2-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

S720-2159

Molecular Formula

C16H18N4O3 (C16 H18 N4 O3)

Compound Name

1-(1-methyl-1H-imidazole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide

IUPAC name

(2S4S)-1-(1-methyl-1H-imidazole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide

SMILES

Cn1c(C(N(C[C@H](C2)Oc3ccccc3)[C@@H]2C(N)=O)=O)ncc1

InChI

InChI=1S/C16H18N4O3/c1-19-8-7-18-15(19)16(22)20-10-12(9-13(20)14(17)21)23-11-5-3-2-4-6-11/h2-8,12-13H,9-10H2,1H3,(H2,17,21)/t12-,13+/m1/s1

InChI Key

CVRWCNYMCZHGMB-OLZOCXBDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.34

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

0.123

Distribution Coefficient, logD

0.123

Water Solubility, LogSw

-1.16

Polar Surface Area

69.538

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.25

S720-2159 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with S720-2159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S720-2159?
Check Price and Availability of S720-2159, 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 S720-2159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S720-2159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S720-2159
  • 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 S720-2159 available by request