F402-0092 Screening compound: methyl 3-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}thiophene-2-carboxylate

F402-0092 Screening compound: methyl 3-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}thiophene-2-carboxylate
F402-0092 Screening compound: methyl 3-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F402-0092
methyl 3-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}thiophene-2-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

F402-0092

Molecular Formula

C21H17N3O4S2 (C21 H17 N3 O4 S2)

Compound Name

methyl 3-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}thiophene-2-carboxylate

IUPAC name

methyl 3-{2-[2-oxo-4-(thiophen-2-yl)-23-dihydro-1H-15-benzodiazepin-1-yl]acetamido}thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(CN(c(cccc1)c1N=C(C1)c2cccs2)C1=O)=O)=O

InChI

InChI=1S/C21H17N3O4S2/c1-28-21(27)20-14(8-10-30-20)23-18(25)12-24-16-6-3-2-5-13(16)22-15(11-19(24)26)17-7-4-9-29-17/h2-10H,11-12H2,1H3,(H,23,25)

InChI Key

GMCWKLGSYWNQPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.70

Polar Surface Area

70.252

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F402-0092 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F402-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F402-0092?
Check Price and Availability of F402-0092, 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 F402-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F402-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F402-0092
  • 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 F402-0092 available by request