S606-2131 Screening compound: (3R)-N-(2-chloro-4-methylphenyl)-3-[1-(2-methoxyethyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-b]pyridin-3-yl]tetrahydro-1H-pyrrole-1-carboxamide

S606-2131 Screening compound: (3R)-N-(2-chloro-4-methylphenyl)-3-[1-(2-methoxyethyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-b]pyridin-3-yl]tetrahydro-1H-pyrrole-1-carboxamide
S606-2131 Screening compound: (3R)-N-(2-chloro-4-methylphenyl)-3-[1-(2-methoxyethyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-b]pyridin-3-yl]tetrahydro-1H-pyrrole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S606-2131
(3R)-N-(2-chloro-4-methylphenyl)-3-[1-(2-methoxyethyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-b]pyridin-3-yl]tetrahydro-1H-pyrrole-1-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

S606-2131

Molecular Formula

C21H24ClN5O3 (C21 H24 ClN5 O3)

Compound Name

(3R)-N-(2-chloro-4-methylphenyl)-3-[1-(2-methoxyethyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-b]pyridin-3-yl]tetrahydro-1H-pyrrole-1-carboxamide

IUPAC name

(3R)-N-(2-chloro-4-methylphenyl)-3-[1-(2-methoxyethyl)-2-oxo-1H2H3H-imidazo[45-b]pyridin-3-yl]pyrrolidine-1-carboxamide

SMILES

Cc(cc1)cc(Cl)c1NC(N(CC1)C[C@@H]1N(c1ncccc1N1CCOC)C1=O)=O

InChI

InChI=1S/C21H24ClN5O3/c1-14-5-6-17(16(22)12-14)24-20(28)25-9-7-15(13-25)27-19-18(4-3-8-23-19)26(21(27)29)10-11-30-2/h3-6,8,12,15H,7,9-11,13H2,1-2H3,(H,24,28)/t15-/m0/s1

InChI Key

BFDATDWZHZFLGZ-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.240

Distribution Coefficient, logD

3.240

Water Solubility, LogSw

-3.35

Polar Surface Area

60.872

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

S606-2131 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S606-2131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-2131?
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What is the minimum amount of S606-2131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-2131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-2131
  • 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 S606-2131 available by request