V028-5128 Screening compound: 1-(2,3-difluorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

V028-5128 Screening compound: 1-(2,3-difluorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine
V028-5128 Screening compound: 1-(2,3-difluorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5128
1-(2,3-difluorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

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

V028-5128

Molecular Formula

C22H21F2N3O3 (C22 H21 F2 N3 O3)

Compound Name

1-(2,3-difluorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

IUPAC name

1-(23-difluorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-1H2H3H4H5H-pyrrolo[12-a][14]diazepine

SMILES

COc(cc1)c(CN(CCCn2c3ccc2)C3c2cccc(F)c2F)cc1[N+]([O-])=O

InChI

InChI=1S/C22H21F2N3O3/c1-30-20-9-8-16(27(28)29)13-15(20)14-26-12-4-11-25-10-3-7-19(25)22(26)17-5-2-6-18(23)21(17)24/h2-3,5-10,13,22H,4,11-12,14H2,1H3/t22-/m1/s1

InChI Key

LZPWJHBMYRMDJD-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19893115

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

413.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.731

Distribution Coefficient, logD

4.730

Water Solubility, LogSw

-4.65

Polar Surface Area

46.954

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

V028-5128 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V028-5128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5128?
Check Price and Availability of V028-5128, 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 V028-5128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5128
  • 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 V028-5128 available by request