1502-0035 Screening compound: methyl 3-{2,2,2-tribromo-1-[(4-methylphenyl)formamido]ethoxy}benzoate

1502-0035 Screening compound: methyl 3-{2,2,2-tribromo-1-[(4-methylphenyl)formamido]ethoxy}benzoate
1502-0035 Screening compound: methyl 3-{2,2,2-tribromo-1-[(4-methylphenyl)formamido]ethoxy}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1502-0035
methyl 3-{2,2,2-tribromo-1-[(4-methylphenyl)formamido]ethoxy}benzoate

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

1502-0035

Molecular Formula

C18H16Br3NO4 (C18 H16 Br3 NO4)

Compound Name

methyl 3-{2,2,2-tribromo-1-[(4-methylphenyl)formamido]ethoxy}benzoate

IUPAC name

methyl 3-{222-tribromo-1-[(4-methylphenyl)formamido]ethoxy}benzoate

SMILES

Cc(cc1)ccc1C(NC(C(Br)(Br)Br)Oc1cc(C(OC)=O)ccc1)=O

InChI

InChI=1S/C18H16Br3NO4/c1-11-6-8-12(9-7-11)15(23)22-17(18(19,20)21)26-14-5-3-4-13(10-14)16(24)25-2/h3-10,17H,1-2H3,(H,22,23)/t17-/m0/s1

InChI Key

LYTFNUYAKBSKKJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00548933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.324

Distribution Coefficient, logD

4.124

Water Solubility, LogSw

-5.49

Polar Surface Area

53.019

Acid Dissociation Constant (pKa)

6.23

Base Dissociation Constant (pKb)

-11.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 1502-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1502-0035?
Check Price and Availability of 1502-0035, 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 1502-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1502-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1502-0035
  • 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 1502-0035 available by request