1325-0109 Screening compound: 2,6-dichloro-4-[N-(4-methylbenzenesulfonyl)butanamido]phenyl butanoate

1325-0109 Screening compound: 2,6-dichloro-4-[N-(4-methylbenzenesulfonyl)butanamido]phenyl butanoate
1325-0109 Screening compound: 2,6-dichloro-4-[N-(4-methylbenzenesulfonyl)butanamido]phenyl butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1325-0109
2,6-dichloro-4-[N-(4-methylbenzenesulfonyl)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

1325-0109

Molecular Formula

C21H23Cl2NO5S (C21 H23 Cl2 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCC(N(c(cc1Cl)cc(Cl)c1OC(CCC)=O)S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C21H23Cl2NO5S/c1-4-6-19(25)24(30(27,28)16-10-8-14(3)9-11-16)15-12-17(22)21(18(23)13-15)29-20(26)7-5-2/h8-13H,4-7H2,1-3H3

InChI Key

HFKQSTJNHWOACO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00567760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.859

Distribution Coefficient, logD

5.859

Water Solubility, LogSw

-5.98

Polar Surface Area

65.518

Acid Dissociation Constant (pKa)

20.20

Base Dissociation Constant (pKb)

-14.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1325-0109 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 1325-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1325-0109?
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What is the minimum amount of 1325-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1325-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1325-0109
  • 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 1325-0109 available by request