L312-0080 Screening compound: methyl 5-[2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-3-ethoxy-1-benzothiophene-2-carboxylate

L312-0080 Screening compound: methyl 5-[2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-3-ethoxy-1-benzothiophene-2-carboxylate
L312-0080 Screening compound: methyl 5-[2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-3-ethoxy-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L312-0080
methyl 5-[2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-3-ethoxy-1-benzothiophene-2-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

L312-0080

Molecular Formula

C26H28N2O6S (C26 H28 N2 O6 S)

Compound Name

methyl 5-[2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-3-ethoxy-1-benzothiophene-2-carboxylate

IUPAC name

methyl 5-[2-(6-tert-butyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetamido]-3-ethoxy-1-benzothiophene-2-carboxylate

SMILES

CCOc1c(C(OC)=O)sc(cc2)c1cc2NC(CN1c(cc(C(C)(C)C)cc2)c2OCC1=O)=O

InChI

InChI=1S/C26H28N2O6S/c1-6-33-23-17-12-16(8-10-20(17)35-24(23)25(31)32-5)27-21(29)13-28-18-11-15(26(2,3)4)7-9-19(18)34-14-22(28)30/h7-12H,6,13-14H2,1-5H3,(H,27,29)

InChI Key

AFKBLBYPBUIMIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.108

Distribution Coefficient, logD

5.108

Water Solubility, LogSw

-5.05

Polar Surface Area

76.435

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

L312-0080 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L312-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L312-0080?
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What is the minimum amount of L312-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L312-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L312-0080
  • 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 L312-0080 available by request