D038-0299 Screening compound: 4-chlorophenyl 2-(4,6-dimethyl-1-benzofuran-3-yl)acetate

D038-0299 Screening compound: 4-chlorophenyl 2-(4,6-dimethyl-1-benzofuran-3-yl)acetate
D038-0299 Screening compound: 4-chlorophenyl 2-(4,6-dimethyl-1-benzofuran-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-0299
4-chlorophenyl 2-(4,6-dimethyl-1-benzofuran-3-yl)acetate

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

D038-0299

Molecular Formula

C18H15ClO3 (C18 H15 ClO3)

Compound Name

4-chlorophenyl 2-(4,6-dimethyl-1-benzofuran-3-yl)acetate

IUPAC name

4-chlorophenyl 2-(46-dimethyl-1-benzofuran-3-yl)acetate

SMILES

Cc1cc(C)c(c(CC(Oc(cc2)ccc2Cl)=O)co2)c2c1

InChI

InChI=1S/C18H15ClO3/c1-11-7-12(2)18-13(10-21-16(18)8-11)9-17(20)22-15-5-3-14(19)4-6-15/h3-8,10H,9H2,1-2H3

InChI Key

FXRHAWNYUNYPKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.216

Distribution Coefficient, logD

5.216

Water Solubility, LogSw

-5.77

Polar Surface Area

29.581

Acid Dissociation Constant (pKa)

16.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D038-0299 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D038-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-0299?
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What is the minimum amount of D038-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-0299
  • 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 D038-0299 available by request