1325-0106 Screening compound: 2,6-dibromo-4-[N-(4-methylbenzenesulfonyl)benzamido]phenyl benzoate

1325-0106 Screening compound: 2,6-dibromo-4-[N-(4-methylbenzenesulfonyl)benzamido]phenyl benzoate
1325-0106 Screening compound: 2,6-dibromo-4-[N-(4-methylbenzenesulfonyl)benzamido]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1325-0106
2,6-dibromo-4-[N-(4-methylbenzenesulfonyl)benzamido]phenyl 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

1325-0106

Molecular Formula

C27H19Br2NO5S (C27 H19 Br2 NO5 S)

Compound Name

2,6-dibromo-4-[N-(4-methylbenzenesulfonyl)benzamido]phenyl benzoate

IUPAC name

26-dibromo-4-[N-(4-methylbenzenesulfonyl)benzamido]phenyl benzoate

SMILES

Cc(cc1)ccc1S(N(C(c1ccccc1)=O)c(cc1Br)cc(Br)c1OC(c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C27H19Br2NO5S/c1-18-12-14-22(15-13-18)36(33,34)30(26(31)19-8-4-2-5-9-19)21-16-23(28)25(24(29)17-21)35-27(32)20-10-6-3-7-11-20/h2-17H,1H3

InChI Key

OHLWPNXZLZROBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00521783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.354

Distribution Coefficient, logD

7.354

Water Solubility, LogSw

-5.72

Polar Surface Area

66.097

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-16.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

1325-0106 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1325-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1325-0106?
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What is the minimum amount of 1325-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1325-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1325-0106
  • 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 1325-0106 available by request