8008-1208 Screening compound: 2-[(Z)-{[(2H-1,3-benzodioxol-5-yl)formamido]imino}methyl]-4,6-dibromophenyl 3-fluorobenzoate

8008-1208 Screening compound: 2-[(Z)-{[(2H-1,3-benzodioxol-5-yl)formamido]imino}methyl]-4,6-dibromophenyl 3-fluorobenzoate
8008-1208 Screening compound: 2-[(Z)-{[(2H-1,3-benzodioxol-5-yl)formamido]imino}methyl]-4,6-dibromophenyl 3-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1208
2-[(Z)-{[(2H-1,3-benzodioxol-5-yl)formamido]imino}methyl]-4,6-dibromophenyl 3-fluorobenzoate

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

8008-1208

Molecular Formula

C22H13Br2FN2O5 (C22 H13 Br2 FN2 O5)

Compound Name

2-[(Z)-{[(2H-1,3-benzodioxol-5-yl)formamido]imino}methyl]-4,6-dibromophenyl 3-fluorobenzoate

IUPAC name

2-[(Z)-{[(2H-13-benzodioxol-5-yl)formamido]imino}methyl]-46-dibromophenyl 3-fluorobenzoate

SMILES

O=C(c(cc1)cc2c1OCO2)N/N=C\c1cc(Br)cc(Br)c1OC(c1cc(F)ccc1)=O

InChI

InChI=1S/C22H13Br2FN2O5/c23-15-6-14(10-26-27-21(28)12-4-5-18-19(8-12)31-11-30-18)20(17(24)9-15)32-22(29)13-2-1-3-16(25)7-13/h1-10H,11H2,(H,27,28)

InChI Key

XZPHCPOTGWXJFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.16

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.026

Distribution Coefficient, logD

5.905

Water Solubility, LogSw

-6.13

Polar Surface Area

73.221

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 8008-1208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1208?
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What is the minimum amount of 8008-1208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1208
  • 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 8008-1208 available by request