D129-0128 Screening compound: 2-[3-(4-chlorophenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl]acetic acid

D129-0128 Screening compound: 2-[3-(4-chlorophenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl]acetic acid
D129-0128 Screening compound: 2-[3-(4-chlorophenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D129-0128
2-[3-(4-chlorophenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl]acetic acid

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

D129-0128

Molecular Formula

C21H15ClO5 (C21 H15 ClO5)

Compound Name

2-[3-(4-chlorophenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl]acetic acid

IUPAC name

2-[3-(4-chlorophenyl)-49-dimethyl-7-oxo-7H-furo[23-f]chromen-8-yl]acetic acid

SMILES

Cc1c(c(-c(cc2)ccc2Cl)co2)c2c(C(C)=C(CC(O)=O)C(O2)=O)c2c1

InChI

InChI=1S/C21H15ClO5/c1-10-7-16-19(11(2)14(8-17(23)24)21(25)27-16)20-18(10)15(9-26-20)12-3-5-13(22)6-4-12/h3-7,9H,8H2,1-2H3,(H,23,24)

InChI Key

PEIRNQDNSFONCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05674744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

1.211

Water Solubility, LogSw

-4.80

Polar Surface Area

59.065

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D129-0128 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D129-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D129-0128?
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What is the minimum amount of D129-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D129-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D129-0128
  • 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 D129-0128 available by request