S606-2071 Screening compound: 3-{(3R)-1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-1-(2-methoxyethyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-2071 Screening compound: 3-{(3R)-1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-1-(2-methoxyethyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-2071 Screening compound: 3-{(3R)-1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-1-(2-methoxyethyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S606-2071
3-{(3R)-1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-1-(2-methoxyethyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

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

S606-2071

Molecular Formula

C18H24N6O4S (C18 H24 N6 O4 S)

Compound Name

3-{(3R)-1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-1-(2-methoxyethyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

IUPAC name

3-[(3R)-1-[(12-dimethyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl]-1-(2-methoxyethyl)-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

Cc1nc(S(N(CC2)C[C@@H]2N(c2ncccc2N2CCOC)C2=O)(=O)=O)cn1C

InChI

InChI=1S/C18H24N6O4S/c1-13-20-16(12-21(13)2)29(26,27)22-8-6-14(11-22)24-17-15(5-4-7-19-17)23(18(24)25)9-10-28-3/h4-5,7,12,14H,6,8-11H2,1-3H3/t14-/m0/s1

InChI Key

KZRXEKMPKJLFIJ-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.424

Distribution Coefficient, logD

0.424

Water Solubility, LogSw

-1.85

Polar Surface Area

80.161

Acid Dissociation Constant (pKa)

21.84

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S606-2071 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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 S606-2071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-2071?
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What is the minimum amount of S606-2071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-2071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-2071
  • 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 S606-2071 available by request