1513-0625 Screening compound: 3-({4-[(2,4-dinitrophenyl)amino]phenyl}carbamoyl)propanoic acid

1513-0625 Screening compound: 3-({4-[(2,4-dinitrophenyl)amino]phenyl}carbamoyl)propanoic acid
1513-0625 Screening compound: 3-({4-[(2,4-dinitrophenyl)amino]phenyl}carbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1513-0625
3-({4-[(2,4-dinitrophenyl)amino]phenyl}carbamoyl)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

1513-0625

Molecular Formula

C16H14N4O7 (C16 H14 N4 O7)

Compound Name

3-({4-[(2,4-dinitrophenyl)amino]phenyl}carbamoyl)propanoic acid

IUPAC name

3-({4-[(24-dinitrophenyl)amino]phenyl}carbamoyl)propanoic acid

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1Nc(cc1)ccc1NC(CCC(O)=O)=O)=O

InChI

InChI=1S/C16H14N4O7/c21-15(7-8-16(22)23)18-11-3-1-10(2-4-11)17-13-6-5-12(19(24)25)9-14(13)20(26)27/h1-6,9,17H,7-8H2,(H,18,21)(H,22,23)

InChI Key

LJTZVHCZFMSLJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01365059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.31

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.658

Distribution Coefficient, logD

-0.291

Water Solubility, LogSw

-3.14

Polar Surface Area

126.448

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

1513-0625 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1513-0625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1513-0625?
Check Price and Availability of 1513-0625, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1513-0625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1513-0625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1513-0625
  • 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 1513-0625 available by request