E990-0320 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carboxamide

E990-0320 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carboxamide
E990-0320 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E990-0320
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carboxamide

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

E990-0320

Molecular Formula

C21H22N6O3S (C21 H22 N6 O3 S)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carboxamide

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-1-{3-methyl-[12]oxazolo[54-d]pyrimidin-4-yl}piperidine-3-carboxamide

SMILES

CCOc(cc1)cc2c1nc(NC(C(CCC1)CN1c1ncnc3c1c(C)no3)=O)s2

InChI

InChI=1S/C21H22N6O3S/c1-3-29-14-6-7-15-16(9-14)31-21(24-15)25-19(28)13-5-4-8-27(10-13)18-17-12(2)26-30-20(17)23-11-22-18/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,24,25,28)/t13-/m0/s1

InChI Key

GCDAQLXSDNLTLZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14936601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.780

Distribution Coefficient, logD

3.779

Water Solubility, LogSw

-4.06

Polar Surface Area

85.522

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

E990-0320 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E990-0320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E990-0320?
Check Price and Availability of E990-0320, 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 E990-0320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E990-0320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E990-0320
  • 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 E990-0320 available by request