8018-1530 Screening compound: 2-[(4,5-dicyano-2-nitrophenyl)amino]-3-methylbutanoic acid

8018-1530 Screening compound: 2-[(4,5-dicyano-2-nitrophenyl)amino]-3-methylbutanoic acid
8018-1530 Screening compound: 2-[(4,5-dicyano-2-nitrophenyl)amino]-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1530
2-[(4,5-dicyano-2-nitrophenyl)amino]-3-methylbutanoic 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

8018-1530

Molecular Formula

C13H12N4O4 (C13 H12 N4 O4)

Compound Name

2-[(4,5-dicyano-2-nitrophenyl)amino]-3-methylbutanoic acid

IUPAC name

2-[(45-dicyano-2-nitrophenyl)amino]-3-methylbutanoic acid

SMILES

CC(C)C(C(O)=O)Nc(cc(c(C#N)c1)C#N)c1[N+]([O-])=O

InChI

InChI=1S/C13H12N4O4/c1-7(2)12(13(18)19)16-10-3-8(5-14)9(6-15)4-11(10)17(20)21/h3-4,7,12,16H,1-2H3,(H,18,19)/t12-/m0/s1

InChI Key

VNPFNMGCCQGWEE-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD07022975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.887

Distribution Coefficient, logD

-2.653

Water Solubility, LogSw

-1.94

Polar Surface Area

105.000

Acid Dissociation Constant (pKa)

3.86

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 8018-1530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1530?
Check Price and Availability of 8018-1530, 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 8018-1530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1530
  • 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 8018-1530 available by request