8629-0190 Screening compound: ethyl 8-chloro-2-[(3,4-dimethoxybenzoyl)amino]-1-oxo-1H-pyrido[2,1-b][1,3]benzoxazole-4-carboxylate

8629-0190 Screening compound: ethyl 8-chloro-2-[(3,4-dimethoxybenzoyl)amino]-1-oxo-1H-pyrido[2,1-b][1,3]benzoxazole-4-carboxylate
8629-0190 Screening compound: ethyl 8-chloro-2-[(3,4-dimethoxybenzoyl)amino]-1-oxo-1H-pyrido[2,1-b][1,3]benzoxazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8629-0190
ethyl 8-chloro-2-[(3,4-dimethoxybenzoyl)amino]-1-oxo-1H-pyrido[2,1-b][1,3]benzoxazole-4-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

8629-0190

Molecular Formula

C23H19ClN2O7 (C23 H19 ClN2 O7)

Compound Name

ethyl 8-chloro-2-[(3,4-dimethoxybenzoyl)amino]-1-oxo-1H-pyrido[2,1-b][1,3]benzoxazole-4-carboxylate

IUPAC name

ethyl 4-chloro-12-(34-dimethoxybenzamido)-13-oxo-8-oxa-1-azatricyclo[7.4.0.0^{27}]trideca-2(7)35911-pentaene-10-carboxylate

SMILES

CCOC(C(C=C1NC(c(cc2)cc(OC)c2OC)=O)=C2Oc(ccc(Cl)c3)c3N2C1=O)=O

InChI

InChI=1S/C23H19ClN2O7/c1-4-32-23(29)14-11-15(25-20(27)12-5-7-18(30-2)19(9-12)31-3)21(28)26-16-10-13(24)6-8-17(16)33-22(14)26/h5-11H,4H2,1-3H3,(H,25,27)

InChI Key

MEOHUSADTORFLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09599302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.87

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.867

Distribution Coefficient, logD

2.858

Water Solubility, LogSw

-3.73

Polar Surface Area

82.810

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

8629-0190 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 8629-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8629-0190?
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What is the minimum amount of 8629-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8629-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8629-0190
  • 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 8629-0190 available by request