S836-2955 Screening compound: (3S,4S)-1-(5-chloro-2-fluorobenzoyl)-4-(methoxymethyl)tetrahydro-1H-pyrrole-3-carboxamide

S836-2955 Screening compound: (3S,4S)-1-(5-chloro-2-fluorobenzoyl)-4-(methoxymethyl)tetrahydro-1H-pyrrole-3-carboxamide
S836-2955 Screening compound: (3S,4S)-1-(5-chloro-2-fluorobenzoyl)-4-(methoxymethyl)tetrahydro-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-2955
(3S,4S)-1-(5-chloro-2-fluorobenzoyl)-4-(methoxymethyl)tetrahydro-1H-pyrrole-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

S836-2955

Molecular Formula

C14H16ClFN2O3 (C14 H16 ClFN2 O3)

Compound Name

(3S,4S)-1-(5-chloro-2-fluorobenzoyl)-4-(methoxymethyl)tetrahydro-1H-pyrrole-3-carboxamide

IUPAC name

(3S4S)-1-(5-chloro-2-fluorobenzoyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide

SMILES

COC[C@@H](CN(C1)C(c(cc(cc2)Cl)c2F)=O)[C@H]1C(N)=O

InChI

InChI=1S/C14H16ClFN2O3/c1-21-7-8-5-18(6-11(8)13(17)19)14(20)10-4-9(15)2-3-12(10)16/h2-4,8,11H,5-7H2,1H3,(H2,17,19)/t8-,11+/m0/s1

InChI Key

IBOSWOAXQIVQMT-GZMMTYOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.123

Distribution Coefficient, logD

1.123

Water Solubility, LogSw

-2.75

Polar Surface Area

59.602

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.86

S836-2955 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S836-2955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-2955?
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What is the minimum amount of S836-2955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-2955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-2955
  • 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 S836-2955 available by request