3786-0137 Screening compound: ethyl 4-{2-[N-(3-chloro-4-methoxyphenyl)4-methylbenzenesulfonamido]acetyl}piperazine-1-carboxylate

3786-0137 Screening compound: ethyl 4-{2-[N-(3-chloro-4-methoxyphenyl)4-methylbenzenesulfonamido]acetyl}piperazine-1-carboxylate
3786-0137 Screening compound: ethyl 4-{2-[N-(3-chloro-4-methoxyphenyl)4-methylbenzenesulfonamido]acetyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3786-0137
ethyl 4-{2-[N-(3-chloro-4-methoxyphenyl)4-methylbenzenesulfonamido]acetyl}piperazine-1-carboxylate

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

3786-0137

Molecular Formula

C23H28ClN3O6S (C23 H28 ClN3 O6 S)

Compound Name

ethyl 4-{2-[N-(3-chloro-4-methoxyphenyl)4-methylbenzenesulfonamido]acetyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{2-[N-(3-chloro-4-methoxyphenyl)4-methylbenzenesulfonamido]acetyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CN(c(cc1)cc(Cl)c1OC)S(c1ccc(C)cc1)(=O)=O)=O)=O

InChI

InChI=1S/C23H28ClN3O6S/c1-4-33-23(29)26-13-11-25(12-14-26)22(28)16-27(18-7-10-21(32-3)20(24)15-18)34(30,31)19-8-5-17(2)6-9-19/h5-10,15H,4,11-14,16H2,1-3H3

InChI Key

OBRMVUYREMKLNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02807887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.01

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

3.334

Water Solubility, LogSw

-3.55

Polar Surface Area

78.595

Acid Dissociation Constant (pKa)

20.47

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with 3786-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3786-0137?
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What is the minimum amount of 3786-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3786-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3786-0137
  • 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 3786-0137 available by request