E145-0075 Screening compound: METHYL 2-(3-METHYL-2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-7-SULFONAMIDO)BENZOATE

E145-0075 Screening compound: METHYL 2-(3-METHYL-2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-7-SULFONAMIDO)BENZOATE
E145-0075 Screening compound: METHYL 2-(3-METHYL-2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-7-SULFONAMIDO)BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound E145-0075
METHYL 2-(3-METHYL-2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-7-SULFONAMIDO)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

E145-0075

Molecular Formula

C18H17N3O6S (C18 H17 N3 O6 S)

Compound Name

METHYL 2-(3-METHYL-2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-7-SULFONAMIDO)BENZOATE

IUPAC name

methyl 2-(3-methyl-24-dioxo-2345-tetrahydro-1H-15-benzodiazepine-7-sulfonamido)benzoate

SMILES

CC(C(Nc(ccc(S(Nc(cccc1)c1C(OC)=O)(=O)=O)c1)c1N1)=O)C1=O

InChI

InChI=1S/C18H17N3O6S/c1-10-16(22)19-14-8-7-11(9-15(14)20-17(10)23)28(25,26)21-13-6-4-3-5-12(13)18(24)27-2/h3-10,21H,1-2H3,(H,19,22)(H,20,23)/t10-/m1/s1

InChI Key

ZKWHWVBKHUAPLZ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD14842418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.579

Distribution Coefficient, logD

-0.228

Water Solubility, LogSw

-2.53

Polar Surface Area

111.530

Acid Dissociation Constant (pKa)

5.60

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

E145-0075 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E145-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E145-0075?
Check Price and Availability of E145-0075, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E145-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E145-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E145-0075
  • 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 E145-0075 available by request