G583-0033 Screening compound: ethyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

G583-0033 Screening compound: ethyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
G583-0033 Screening compound: ethyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G583-0033
ethyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine-6-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

G583-0033

Molecular Formula

C20H23N5O4 (C20 H23 N5 O4)

Compound Name

ethyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-[12]oxazolo[54-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1nc(N(CC2)CCN2c(cccc2)c2OC)c(c(C)no2)c2n1)=O

InChI

InChI=1S/C20H23N5O4/c1-4-28-20(26)17-21-18(16-13(2)23-29-19(16)22-17)25-11-9-24(10-12-25)14-7-5-6-8-15(14)27-3/h5-8H,4,9-12H2,1-3H3

InChI Key

SNKRGCWJUXLXMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.446

Distribution Coefficient, logD

3.446

Water Solubility, LogSw

-3.82

Polar Surface Area

75.717

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G583-0033 in Drug Discovery

Included in Screening Libraries

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 G583-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G583-0033?
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What is the minimum amount of G583-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G583-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G583-0033
  • 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 G583-0033 available by request