2513-0440 Screening compound: 4-{2-cyano-2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]acetyl}-N,N-bis(2-methoxyethyl)benzene-1-sulfonamide

2513-0440 Screening compound: 4-{2-cyano-2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]acetyl}-N,N-bis(2-methoxyethyl)benzene-1-sulfonamide
2513-0440 Screening compound: 4-{2-cyano-2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]acetyl}-N,N-bis(2-methoxyethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-0440
4-{2-cyano-2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]acetyl}-N,N-bis(2-methoxyethyl)benzene-1-sulfonamide

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

2513-0440

Molecular Formula

C23H26N4O5S (C23 H26 N4 O5 S)

Compound Name

4-{2-cyano-2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]acetyl}-N,N-bis(2-methoxyethyl)benzene-1-sulfonamide

IUPAC name

4-{2-cyano-2-[(2E)-1-methyl-23-dihydro-1H-13-benzodiazol-2-ylidene]acetyl}-NN-bis(2-methoxyethyl)benzene-1-sulfonamide

SMILES

CN(c(cccc1)c1N1)/C1=C(/C(c(cc1)ccc1S(N(CCOC)CCOC)(=O)=O)=O)\C#N

InChI

InChI=1S/C23H26N4O5S/c1-26-21-7-5-4-6-20(21)25-23(26)19(16-24)22(28)17-8-10-18(11-9-17)33(29,30)27(12-14-31-2)13-15-32-3/h4-11,25H,12-15H2,1-3H3

InChI Key

BUWHKTMVRHHBFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.408

Distribution Coefficient, logD

2.408

Water Solubility, LogSw

-2.90

Polar Surface Area

94.270

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

2513-0440 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2513-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2513-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-0440
  • 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 2513-0440 available by request