8005-0807 Screening compound: 2,4-dibromo-6-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate

8005-0807 Screening compound: 2,4-dibromo-6-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate
8005-0807 Screening compound: 2,4-dibromo-6-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-0807
2,4-dibromo-6-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate

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

8005-0807

Molecular Formula

C28H27Br2N3O9 (C28 H27 Br2 N3 O9)

Compound Name

2,4-dibromo-6-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate

IUPAC name

24-dibromo-6-[(E)-({2-[(34-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 345-trimethoxybenzoate

SMILES

COc(ccc(C(NCC(N/N=C/c1cc(Br)cc(Br)c1OC(c(cc1OC)cc(OC)c1OC)=O)=O)=O)c1)c1OC

InChI

InChI=1S/C28H27Br2N3O9/c1-37-20-7-6-15(9-21(20)38-2)27(35)31-14-24(34)33-32-13-17-8-18(29)12-19(30)25(17)42-28(36)16-10-22(39-3)26(41-5)23(11-16)40-4/h6-13H,14H2,1-5H3,(H,31,35)(H,33,34)

InChI Key

UPWRAUIPBRTSKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00740828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

709.35

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.617

Distribution Coefficient, logD

4.600

Water Solubility, LogSw

-4.52

Polar Surface Area

118.816

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 8005-0807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-0807?
Check Price and Availability of 8005-0807, 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 8005-0807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-0807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-0807
  • 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 8005-0807 available by request