1606-0652 Screening compound: methyl 4-{5-[(4-bromophenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}benzoate

1606-0652 Screening compound: methyl 4-{5-[(4-bromophenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}benzoate
1606-0652 Screening compound: methyl 4-{5-[(4-bromophenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1606-0652
methyl 4-{5-[(4-bromophenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}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

1606-0652

Molecular Formula

C23H15BrN2O5 (C23 H15 BrN2 O5)

Compound Name

methyl 4-{5-[(4-bromophenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}benzoate

IUPAC name

methyl 4-{5-[(4-bromophenyl)carbamoyl]-13-dioxo-23-dihydro-1H-isoindol-2-yl}benzoate

SMILES

COC(c(cc1)ccc1N(C(c(cc1)c2cc1C(Nc(cc1)ccc1Br)=O)=O)C2=O)=O

InChI

InChI=1S/C23H15BrN2O5/c1-31-23(30)13-2-9-17(10-3-13)26-21(28)18-11-4-14(12-19(18)22(26)29)20(27)25-16-7-5-15(24)6-8-16/h2-12H,1H3,(H,25,27)

InChI Key

PIYOOQHFGNUTKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01028233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.742

Distribution Coefficient, logD

4.696

Water Solubility, LogSw

-4.62

Polar Surface Area

73.145

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 1606-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1606-0652?
Check Price and Availability of 1606-0652, 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 1606-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1606-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1606-0652
  • 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 1606-0652 available by request