8629-0189 Screening compound: ethyl 2-[(3,4-dimethoxybenzoyl)amino]-1-oxo-1H-pyrido[2,1-b][1,3]benzoxazole-4-carboxylate

8629-0189 Screening compound: ethyl 2-[(3,4-dimethoxybenzoyl)amino]-1-oxo-1H-pyrido[2,1-b][1,3]benzoxazole-4-carboxylate
8629-0189 Screening compound: ethyl 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 8629-0189
ethyl 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

8629-0189

Molecular Formula

C23H20N2O7 (C23 H20 N2 O7)

Compound Name

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

IUPAC name

ethyl 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(cccc3)c3N2C1=O)=O

InChI

InChI=1S/C23H20N2O7/c1-4-31-23(28)14-12-15(21(27)25-16-7-5-6-8-17(16)32-22(14)25)24-20(26)13-9-10-18(29-2)19(11-13)30-3/h5-12H,4H2,1-3H3,(H,24,26)

InChI Key

LDWADDMGTIGBCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09599301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.42

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

2.285

Distribution Coefficient, logD

2.276

Water Solubility, LogSw

-3.00

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

References: we are preparing a list of scientific research reports with 8629-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8629-0189?
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What is the minimum amount of 8629-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8629-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8629-0189
  • 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 8629-0189 available by request