SD01-1044 Screening compound: 3,5-difluorophenyl [3-(1,3-oxazol-4-yl)-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl] sulfone

SD01-1044 Screening compound: 3,5-difluorophenyl [3-(1,3-oxazol-4-yl)-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl] sulfone
SD01-1044 Screening compound: 3,5-difluorophenyl [3-(1,3-oxazol-4-yl)-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD01-1044
3,5-difluorophenyl [3-(1,3-oxazol-4-yl)-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl] sulfone

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

SD01-1044

Molecular Formula

C18H18F2N4O3S (C18 H18 F2 N4 O3 S)

Compound Name

3,5-difluorophenyl [3-(1,3-oxazol-4-yl)-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl] sulfone

IUPAC name

4-[5-(35-difluorobenzenesulfonyl)-1-propyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-13-oxazole

SMILES

CCCn(c(CC1)c2CN1S(c1cc(F)cc(F)c1)(=O)=O)nc2-c1cocn1

InChI

InChI=1S/C18H18F2N4O3S/c1-2-4-24-17-3-5-23(9-15(17)18(22-24)16-10-27-11-21-16)28(25,26)14-7-12(19)6-13(20)8-14/h6-8,10-11H,2-5,9H2,1H3

InChI Key

CIVDDIGDWYJIHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32259358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.657

Distribution Coefficient, logD

2.657

Water Solubility, LogSw

-2.80

Polar Surface Area

63.379

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

SD01-1044 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD01-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD01-1044?
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What is the minimum amount of SD01-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD01-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD01-1044
  • 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 SD01-1044 available by request