8016-0548 Screening compound: 3-[4-(cyclopentyloxy)phenyl]-3-[(3,4-dichlorobenzoyl)amino]propanoic acid

8016-0548 Screening compound: 3-[4-(cyclopentyloxy)phenyl]-3-[(3,4-dichlorobenzoyl)amino]propanoic acid
8016-0548 Screening compound: 3-[4-(cyclopentyloxy)phenyl]-3-[(3,4-dichlorobenzoyl)amino]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0548
3-[4-(cyclopentyloxy)phenyl]-3-[(3,4-dichlorobenzoyl)amino]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

8016-0548

Molecular Formula

C21H21Cl2NO4 (C21 H21 Cl2 NO4)

Compound Name

3-[4-(cyclopentyloxy)phenyl]-3-[(3,4-dichlorobenzoyl)amino]propanoic acid

IUPAC name

3-[4-(cyclopentyloxy)phenyl]-3-[(34-dichlorophenyl)formamido]propanoic acid

SMILES

OC(CC(c(cc1)ccc1OC1CCCC1)NC(c(cc1)cc(Cl)c1Cl)=O)=O

InChI

InChI=1S/C21H21Cl2NO4/c22-17-10-7-14(11-18(17)23)21(27)24-19(12-20(25)26)13-5-8-16(9-6-13)28-15-3-1-2-4-15/h5-11,15,19H,1-4,12H2,(H,24,27)(H,25,26)/t19-/m0/s1

InChI Key

FRNVSCZIFPPKFD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05259969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.625

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-4.47

Polar Surface Area

59.486

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8016-0548 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0548?
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What is the minimum amount of 8016-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0548
  • 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 8016-0548 available by request