SB56-1039 Screening compound: (5-methyl-3-pyridyl){(3R,4S)-3-(3-pyridyl)-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}methanone

SB56-1039 Screening compound: (5-methyl-3-pyridyl){(3R,4S)-3-(3-pyridyl)-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}methanone
SB56-1039 Screening compound: (5-methyl-3-pyridyl){(3R,4S)-3-(3-pyridyl)-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB56-1039
(5-methyl-3-pyridyl){(3R,4S)-3-(3-pyridyl)-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}methanone

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

SB56-1039

Molecular Formula

C23H20N6O2 (C23 H20 N6 O2)

Compound Name

(5-methyl-3-pyridyl){(3R,4S)-3-(3-pyridyl)-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}methanone

IUPAC name

3-methyl-5-[(3R4S)-3-(pyridin-3-yl)-4-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyridine

SMILES

Cc1cc(C(N(C[C@@H]2c3nc(-c4ccncc4)no3)C[C@@H]2c2cnccc2)=O)cnc1

InChI

InChI=1S/C23H20N6O2/c1-15-9-18(12-26-10-15)23(30)29-13-19(17-3-2-6-25-11-17)20(14-29)22-27-21(28-31-22)16-4-7-24-8-5-16/h2-12,19-20H,13-14H2,1H3/t19-,20+/m0/s1

InChI Key

RDEADGXQPUYLDD-VQTJNVASSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.225

Distribution Coefficient, logD

2.223

Water Solubility, LogSw

-2.44

Polar Surface Area

76.807

Acid Dissociation Constant (pKa)

19.94

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.74

SB56-1039 in Drug Discovery

Included in Screening Libraries

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 SB56-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB56-1039?
Check Price and Availability of SB56-1039, 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 SB56-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB56-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB56-1039
  • 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 SB56-1039 available by request