3616-2411 Screening compound: 1,3-dimethyl 5-[5-(3-chloro-2-methylphenyl)furan-2-amido]benzene-1,3-dicarboxylate

3616-2411 Screening compound: 1,3-dimethyl 5-[5-(3-chloro-2-methylphenyl)furan-2-amido]benzene-1,3-dicarboxylate
3616-2411 Screening compound: 1,3-dimethyl 5-[5-(3-chloro-2-methylphenyl)furan-2-amido]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-2411
1,3-dimethyl 5-[5-(3-chloro-2-methylphenyl)furan-2-amido]benzene-1,3-dicarboxylate

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

3616-2411

Molecular Formula

C22H18ClNO6 (C22 H18 ClNO6)

Compound Name

1,3-dimethyl 5-[5-(3-chloro-2-methylphenyl)furan-2-amido]benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-[5-(3-chloro-2-methylphenyl)furan-2-amido]benzene-13-dicarboxylate

SMILES

Cc(c(-c1ccc(C(Nc2cc(C(OC)=O)cc(C(OC)=O)c2)=O)o1)ccc1)c1Cl

InChI

InChI=1S/C22H18ClNO6/c1-12-16(5-4-6-17(12)23)18-7-8-19(30-18)20(25)24-15-10-13(21(26)28-2)9-14(11-15)22(27)29-3/h4-11H,1-3H3,(H,24,25)

InChI Key

CQYROMQMFGFVDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.721

Distribution Coefficient, logD

5.721

Water Solubility, LogSw

-5.97

Polar Surface Area

74.077

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 3616-2411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-2411?
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What is the minimum amount of 3616-2411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-2411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-2411
  • 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 3616-2411 available by request