4167-0076 Screening compound: methyl 2-chloro-5-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate

4167-0076 Screening compound: methyl 2-chloro-5-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate
4167-0076 Screening compound: methyl 2-chloro-5-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4167-0076
methyl 2-chloro-5-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate

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

4167-0076

Molecular Formula

C19H15ClO7 (C19 H15 ClO7)

Compound Name

methyl 2-chloro-5-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate

IUPAC name

methyl 2-chloro-5-{5-[(22-dimethyl-46-dioxo-13-dioxan-5-ylidene)methyl]furan-2-yl}benzoate

SMILES

CC(C)(OC(C1=Cc2ccc(-c(cc3)cc(C(OC)=O)c3Cl)o2)=O)OC1=O

InChI

InChI=1S/C19H15ClO7/c1-19(2)26-17(22)13(18(23)27-19)9-11-5-7-15(25-11)10-4-6-14(20)12(8-10)16(21)24-3/h4-9H,1-3H3

InChI Key

CNTAKTRTGLHPNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.78

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.63

Polar Surface Area

70.188

Acid Dissociation Constant (pKa)

30.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 4167-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4167-0076?
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What is the minimum amount of 4167-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4167-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4167-0076
  • 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 4167-0076 available by request