S837-1381 Screening compound: 1-benzyl-4-{[(5-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}pyrrolidine-3-carboxylic acid

S837-1381 Screening compound: 1-benzyl-4-{[(5-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}pyrrolidine-3-carboxylic acid
S837-1381 Screening compound: 1-benzyl-4-{[(5-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}pyrrolidine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S837-1381
1-benzyl-4-{[(5-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}pyrrolidine-3-carboxylic acid

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

S837-1381

Molecular Formula

C18H22N4O3 (C18 H22 N4 O3)

Compound Name

1-benzyl-4-{[(5-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}pyrrolidine-3-carboxylic acid

IUPAC name

(3S4R)-1-benzyl-4-{[(5-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}pyrrolidine-3-carboxylic acid

SMILES

Cc1c(CNC([C@H](CN(Cc2ccccc2)C2)[C@H]2C(O)=O)=O)cn[nH]1

InChI

InChI=1S/C18H22N4O3/c1-12-14(8-20-21-12)7-19-17(23)15-10-22(11-16(15)18(24)25)9-13-5-3-2-4-6-13/h2-6,8,15-16H,7,9-11H2,1H3,(H,19,23)(H,20,21)(H,24,25)/t15-,16+/m1/s1

InChI Key

BCQMCMHIVDYMJM-CVEARBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.415

Distribution Coefficient, logD

0.415

Water Solubility, LogSw

-2.06

Polar Surface Area

81.293

Acid Dissociation Constant (pKa)

3.95

Base Dissociation Constant (pKb)

9.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.89

S837-1381 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S837-1381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S837-1381?
Check Price and Availability of S837-1381, 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 S837-1381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S837-1381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S837-1381
  • 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 S837-1381 available by request