S836-1085 Screening compound: 4-(methoxymethyl)-N-methyl-1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxamide

S836-1085 Screening compound: 4-(methoxymethyl)-N-methyl-1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
S836-1085 Screening compound: 4-(methoxymethyl)-N-methyl-1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-1085
4-(methoxymethyl)-N-methyl-1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-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

S836-1085

Molecular Formula

C13H19N3O4 (C13 H19 N3 O4)

Compound Name

4-(methoxymethyl)-N-methyl-1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxamide

IUPAC name

(3S4S)-4-(methoxymethyl)-N-methyl-1-(2-methyl-13-oxazole-4-carbonyl)pyrrolidine-3-carboxamide

SMILES

Cc1nc(C(N(C[C@@H]2COC)C[C@@H]2C(NC)=O)=O)co1

InChI

InChI=1S/C13H19N3O4/c1-8-15-11(7-20-8)13(18)16-4-9(6-19-3)10(5-16)12(17)14-2/h7,9-10H,4-6H2,1-3H3,(H,14,17)/t9-,10+/m0/s1

InChI Key

PADQVWBQKBPDSY-VHSXEESVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.577

Distribution Coefficient, logD

-0.577

Water Solubility, LogSw

-1.29

Polar Surface Area

68.347

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.54

S836-1085 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S836-1085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-1085?
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What is the minimum amount of S836-1085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-1085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-1085
  • 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 S836-1085 available by request