2404-0026 Screening compound: methyl 2-[({5-bromo-2-[(ethoxycarbonyl)amino]phenyl}(phenyl)methyl)(ethoxycarbonyl)amino]acetate

2404-0026 Screening compound: methyl 2-[({5-bromo-2-[(ethoxycarbonyl)amino]phenyl}(phenyl)methyl)(ethoxycarbonyl)amino]acetate
2404-0026 Screening compound: methyl 2-[({5-bromo-2-[(ethoxycarbonyl)amino]phenyl}(phenyl)methyl)(ethoxycarbonyl)amino]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2404-0026
methyl 2-[({5-bromo-2-[(ethoxycarbonyl)amino]phenyl}(phenyl)methyl)(ethoxycarbonyl)amino]acetate

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

2404-0026

Molecular Formula

C22H25BrN2O6 (C22 H25 BrN2 O6)

Compound Name

methyl 2-[({5-bromo-2-[(ethoxycarbonyl)amino]phenyl}(phenyl)methyl)(ethoxycarbonyl)amino]acetate

IUPAC name

methyl 2-[({5-bromo-2-[(ethoxycarbonyl)amino]phenyl}(phenyl)methyl)(ethoxycarbonyl)amino]acetate

SMILES

CCOC(Nc(cc1)c(C(c2ccccc2)N(CC(OC)=O)C(OCC)=O)cc1Br)=O

InChI

InChI=1S/C22H25BrN2O6/c1-4-30-21(27)24-18-12-11-16(23)13-17(18)20(15-9-7-6-8-10-15)25(14-19(26)29-3)22(28)31-5-2/h6-13,20H,4-5,14H2,1-3H3,(H,24,27)/t20-/m0/s1

InChI Key

REAAGNWDOPYBJR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01080584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.788

Distribution Coefficient, logD

4.788

Water Solubility, LogSw

-4.43

Polar Surface Area

72.811

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 2404-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2404-0026?
Check Price and Availability of 2404-0026, 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 2404-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2404-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2404-0026
  • 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 2404-0026 available by request