1325-0276 Screening compound: 2,6-dichloro-4-[N-(3-nitrobenzenesulfonyl)butanamido]phenyl butanoate

1325-0276 Screening compound: 2,6-dichloro-4-[N-(3-nitrobenzenesulfonyl)butanamido]phenyl butanoate
1325-0276 Screening compound: 2,6-dichloro-4-[N-(3-nitrobenzenesulfonyl)butanamido]phenyl butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1325-0276
2,6-dichloro-4-[N-(3-nitrobenzenesulfonyl)butanamido]phenyl butanoate

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

1325-0276

Molecular Formula

C20H20Cl2N2O7S (C20 H20 Cl2 N2 O7 S)

Compound Name

2,6-dichloro-4-[N-(3-nitrobenzenesulfonyl)butanamido]phenyl butanoate

IUPAC name

26-dichloro-4-[N-(3-nitrobenzenesulfonyl)butanamido]phenyl butanoate

SMILES

CCCC(N(c(cc1Cl)cc(Cl)c1OC(CCC)=O)S(c1cc([N+]([O-])=O)ccc1)(=O)=O)=O

InChI

InChI=1S/C20H20Cl2N2O7S/c1-3-6-18(25)23(32(29,30)15-9-5-8-13(10-15)24(27)28)14-11-16(21)20(17(22)12-14)31-19(26)7-4-2/h5,8-12H,3-4,6-7H2,1-2H3

InChI Key

NKIBPKMIQQJOFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00567896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.36

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.296

Distribution Coefficient, logD

5.296

Water Solubility, LogSw

-5.88

Polar Surface Area

98.900

Acid Dissociation Constant (pKa)

20.20

Base Dissociation Constant (pKb)

-16.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

1325-0276 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1325-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1325-0276?
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What is the minimum amount of 1325-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1325-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1325-0276
  • 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 1325-0276 available by request