D143-0431 Screening compound: 10-(tert-butyl)-7-methyl-1,2,3,4-tetrahydro-5H-benzo[c]furo[3,2-g]chromen-5-one

D143-0431 Screening compound: 10-(tert-butyl)-7-methyl-1,2,3,4-tetrahydro-5H-benzo[c]furo[3,2-g]chromen-5-one
D143-0431 Screening compound: 10-(tert-butyl)-7-methyl-1,2,3,4-tetrahydro-5H-benzo[c]furo[3,2-g]chromen-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D143-0431
10-(tert-butyl)-7-methyl-1,2,3,4-tetrahydro-5H-benzo[c]furo[3,2-g]chromen-5-one

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

D143-0431

Molecular Formula

C20H22O3 (C20 H22 O3)

Compound Name

10-(tert-butyl)-7-methyl-1,2,3,4-tetrahydro-5H-benzo[c]furo[3,2-g]chromen-5-one

IUPAC name

15-tert-butyl-11-methyl-913-dioxatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(17)2(7)1012(16)14-pentaen-8-one

SMILES

CC(C)(C)c(c1c2)coc1c(C)c(O1)c2C(CCCC2)=C2C1=O

InChI

InChI=1S/C20H22O3/c1-11-17-15(16(10-22-17)20(2,3)4)9-14-12-7-5-6-8-13(12)19(21)23-18(11)14/h9-10H,5-8H2,1-4H3

InChI Key

BICXVIJTUDKKRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03851479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.302

Distribution Coefficient, logD

5.302

Water Solubility, LogSw

-5.44

Polar Surface Area

30.558

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

D143-0431 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D143-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D143-0431?
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What is the minimum amount of D143-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D143-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D143-0431
  • 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 D143-0431 available by request