G583-1822 Screening compound: ethyl 4-[(4-bromo-2-methylphenyl)amino]-3-(4-chlorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

G583-1822 Screening compound: ethyl 4-[(4-bromo-2-methylphenyl)amino]-3-(4-chlorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
G583-1822 Screening compound: ethyl 4-[(4-bromo-2-methylphenyl)amino]-3-(4-chlorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G583-1822
ethyl 4-[(4-bromo-2-methylphenyl)amino]-3-(4-chlorophenyl)-[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

G583-1822

Molecular Formula

C21H16BrClN4O3 (C21 H16 BrClN4 O3)

Compound Name

ethyl 4-[(4-bromo-2-methylphenyl)amino]-3-(4-chlorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 4-[(4-bromo-2-methylphenyl)amino]-3-(4-chlorophenyl)-[12]oxazolo[54-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1nc(onc2-c(cc3)ccc3Cl)c2c(Nc(cc2)c(C)cc2Br)n1)=O

InChI

InChI=1S/C21H16BrClN4O3/c1-3-29-21(28)19-25-18(24-15-9-6-13(22)10-11(15)2)16-17(27-30-20(16)26-19)12-4-7-14(23)8-5-12/h4-10H,3H2,1-2H3,(H,24,25,26)

InChI Key

RITWQNNHONBOJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.216

Distribution Coefficient, logD

6.216

Water Solubility, LogSw

-6.32

Polar Surface Area

70.518

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G583-1822 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G583-1822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G583-1822?
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What is the minimum amount of G583-1822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G583-1822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G583-1822
  • 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 G583-1822 available by request