E990-0113 Screening compound: methyl 3-(1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-4-amido)thiophene-2-carboxylate

E990-0113 Screening compound: methyl 3-(1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-4-amido)thiophene-2-carboxylate
E990-0113 Screening compound: methyl 3-(1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-4-amido)thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E990-0113
methyl 3-(1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-4-amido)thiophene-2-carboxylate

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

E990-0113

Molecular Formula

C18H19N5O4S (C18 H19 N5 O4 S)

Compound Name

methyl 3-(1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-4-amido)thiophene-2-carboxylate

IUPAC name

methyl 3-(1-{3-methyl-[12]oxazolo[54-d]pyrimidin-4-yl}piperidine-4-amido)thiophene-2-carboxylate

SMILES

Cc1noc2c1c(N(CC1)CCC1C(Nc1c(C(OC)=O)scc1)=O)ncn2

InChI

InChI=1S/C18H19N5O4S/c1-10-13-15(19-9-20-17(13)27-22-10)23-6-3-11(4-7-23)16(24)21-12-5-8-28-14(12)18(25)26-2/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,21,24)

InChI Key

PPZSFSDRWMLYHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.259

Distribution Coefficient, logD

2.124

Water Solubility, LogSw

-2.80

Polar Surface Area

90.198

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E990-0113 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E990-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E990-0113?
Check Price and Availability of E990-0113, 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 E990-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E990-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E990-0113
  • 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 E990-0113 available by request