8017-0271 Screening compound: 3-(2,4-dichlorophenyl)-3-[(3-nitrobenzoyl)amino]propanoic acid

8017-0271 Screening compound: 3-(2,4-dichlorophenyl)-3-[(3-nitrobenzoyl)amino]propanoic acid
8017-0271 Screening compound: 3-(2,4-dichlorophenyl)-3-[(3-nitrobenzoyl)amino]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0271
3-(2,4-dichlorophenyl)-3-[(3-nitrobenzoyl)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

8017-0271

Molecular Formula

C16H12Cl2N2O5 (C16 H12 Cl2 N2 O5)

Compound Name

3-(2,4-dichlorophenyl)-3-[(3-nitrobenzoyl)amino]propanoic acid

IUPAC name

3-(24-dichlorophenyl)-3-[(3-nitrophenyl)formamido]propanoic acid

SMILES

[O-][N+](c1cccc(C(NC(CC(O)=O)c(ccc(Cl)c2)c2Cl)=O)c1)=O

InChI

InChI=1S/C16H12Cl2N2O5/c17-10-4-5-12(13(18)7-10)14(8-15(21)22)19-16(23)9-2-1-3-11(6-9)20(24)25/h1-7,14H,8H2,(H,19,23)(H,21,22)/t14-/m0/s1

InChI Key

SVASWLVOGPBBHE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06013520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.19

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.592

Distribution Coefficient, logD

0.954

Water Solubility, LogSw

-3.86

Polar Surface Area

86.047

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-6.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8017-0271 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0271?
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What is the minimum amount of 8017-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0271
  • 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 8017-0271 available by request