8013-3973 Screening compound: 3-[(2,4-dichlorobenzoyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid

8013-3973 Screening compound: 3-[(2,4-dichlorobenzoyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
8013-3973 Screening compound: 3-[(2,4-dichlorobenzoyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3973
3-[(2,4-dichlorobenzoyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic 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

8013-3973

Molecular Formula

C19H19Cl2NO5 (C19 H19 Cl2 NO5)

Compound Name

3-[(2,4-dichlorobenzoyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid

IUPAC name

3-[(24-dichlorophenyl)formamido]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid

SMILES

CCOc(ccc(C(CC(O)=O)NC(c(ccc(Cl)c1)c1Cl)=O)c1)c1OC

InChI

InChI=1S/C19H19Cl2NO5/c1-3-27-16-7-4-11(8-17(16)26-2)15(10-18(23)24)22-19(25)13-6-5-12(20)9-14(13)21/h4-9,15H,3,10H2,1-2H3,(H,22,25)(H,23,24)/t15-/m0/s1

InChI Key

AZTUWDVOZCBTGW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03766461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.705

Distribution Coefficient, logD

1.067

Water Solubility, LogSw

-4.06

Polar Surface Area

67.507

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with 8013-3973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3973?
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What is the minimum amount of 8013-3973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3973
  • 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 8013-3973 available by request