J061-1317 Screening compound: N-[4-(butan-2-yl)phenyl]-3-({5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}sulfanyl)propanamide

J061-1317 Screening compound: N-[4-(butan-2-yl)phenyl]-3-({5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}sulfanyl)propanamide
J061-1317 Screening compound: N-[4-(butan-2-yl)phenyl]-3-({5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}sulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J061-1317
N-[4-(butan-2-yl)phenyl]-3-({5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}sulfanyl)propanamide

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

J061-1317

Molecular Formula

C20H23N3O2S (C20 H23 N3 O2 S)

Compound Name

N-[4-(butan-2-yl)phenyl]-3-({5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}sulfanyl)propanamide

IUPAC name

N-[4-(butan-2-yl)phenyl]-3-({5-methyl-[13]oxazolo[45-b]pyridin-2-yl}sulfanyl)propanamide

SMILES

CCC(C)c(cc1)ccc1NC(CCSc1nc(nc(C)cc2)c2o1)=O

InChI

InChI=1S/C20H23N3O2S/c1-4-13(2)15-6-8-16(9-7-15)22-18(24)11-12-26-20-23-19-17(25-20)10-5-14(3)21-19/h5-10,13H,4,11-12H2,1-3H3,(H,22,24)/t13-/m0/s1

InChI Key

PWJBTKOHCRPCMH-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15079864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.300

Distribution Coefficient, logD

5.300

Water Solubility, LogSw

-5.21

Polar Surface Area

49.528

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with J061-1317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J061-1317?
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What is the minimum amount of J061-1317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J061-1317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J061-1317
  • 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 J061-1317 available by request