G583-1854 Screening compound: ethyl 3-(4-chlorophenyl)-4-{[(2-fluorophenyl)methyl]amino}-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

G583-1854 Screening compound: ethyl 3-(4-chlorophenyl)-4-{[(2-fluorophenyl)methyl]amino}-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
G583-1854 Screening compound: ethyl 3-(4-chlorophenyl)-4-{[(2-fluorophenyl)methyl]amino}-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G583-1854
ethyl 3-(4-chlorophenyl)-4-{[(2-fluorophenyl)methyl]amino}-[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

G583-1854

Molecular Formula

C21H16ClFN4O3 (C21 H16 ClFN4 O3)

Compound Name

ethyl 3-(4-chlorophenyl)-4-{[(2-fluorophenyl)methyl]amino}-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 3-(4-chlorophenyl)-4-{[(2-fluorophenyl)methyl]amino}-[12]oxazolo[54-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1nc(NCc(cccc2)c2F)c(c(-c(cc2)ccc2Cl)no2)c2n1)=O

InChI

InChI=1S/C21H16ClFN4O3/c1-2-29-21(28)19-25-18(24-11-13-5-3-4-6-15(13)23)16-17(27-30-20(16)26-19)12-7-9-14(22)10-8-12/h3-10H,2,11H2,1H3,(H,24,25,26)

InChI Key

WECNIOIWQWGHBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.025

Distribution Coefficient, logD

5.025

Water Solubility, LogSw

-5.22

Polar Surface Area

72.538

Acid Dissociation Constant (pKa)

15.91

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G583-1854 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G583-1854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G583-1854?
Check Price and Availability of G583-1854, 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 G583-1854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G583-1854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G583-1854
  • 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 G583-1854 available by request