3996-0100 Screening compound: 1-(4-ethylphenyl)-2-({4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)ethan-1-one

3996-0100 Screening compound: 1-(4-ethylphenyl)-2-({4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)ethan-1-one
3996-0100 Screening compound: 1-(4-ethylphenyl)-2-({4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3996-0100
1-(4-ethylphenyl)-2-({4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)ethan-1-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

3996-0100

Molecular Formula

C19H19N3O2S (C19 H19 N3 O2 S)

Compound Name

1-(4-ethylphenyl)-2-({4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)ethan-1-one

IUPAC name

1-(4-ethylphenyl)-2-({4-hydroxy-57-dimethylpyrido[23-d]pyrimidin-2-yl}sulfanyl)ethan-1-one

SMILES

CCc(cc1)ccc1C(CSc1nc2nc(C)cc(C)c2c(O)n1)=O

InChI

InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15(23)10-25-19-21-17-16(18(24)22-19)11(2)9-12(3)20-17/h5-9H,4,10H2,1-3H3,(H,20,21,22,24)

InChI Key

NSQRJQKCKSGPSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.116

Distribution Coefficient, logD

3.982

Water Solubility, LogSw

-4.19

Polar Surface Area

56.931

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 3996-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3996-0100?
Check Price and Availability of 3996-0100, 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 3996-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3996-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3996-0100
  • 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 3996-0100 available by request