V022-7476 Screening compound: 2-[(2-chloro-5-nitrophenyl)methyl]-1-(2,4,5-trimethoxyphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

V022-7476 Screening compound: 2-[(2-chloro-5-nitrophenyl)methyl]-1-(2,4,5-trimethoxyphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine
V022-7476 Screening compound: 2-[(2-chloro-5-nitrophenyl)methyl]-1-(2,4,5-trimethoxyphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-7476
2-[(2-chloro-5-nitrophenyl)methyl]-1-(2,4,5-trimethoxyphenyl)-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

V022-7476

Molecular Formula

C24H26ClN3O5 (C24 H26 ClN3 O5)

Compound Name

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

IUPAC name

2-[(2-chloro-5-nitrophenyl)methyl]-1-(245-trimethoxyphenyl)-1H2H3H4H5H-pyrrolo[12-a][14]diazepine

SMILES

COc(cc1OC)c(C2N(Cc(cc(cc3)[N+]([O-])=O)c3Cl)CCCn3c2ccc3)cc1OC

InChI

InChI=1S/C24H26ClN3O5/c1-31-21-14-23(33-3)22(32-2)13-18(21)24-20-6-4-9-26(20)10-5-11-27(24)15-16-12-17(28(29)30)7-8-19(16)25/h4,6-9,12-14,24H,5,10-11,15H2,1-3H3/t24-/m1/s1

InChI Key

IZDGFVVHWHDFCD-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19893174

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

471.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.454

Distribution Coefficient, logD

4.437

Water Solubility, LogSw

-4.64

Polar Surface Area

62.215

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V022-7476 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V022-7476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-7476?
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What is the minimum amount of V022-7476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-7476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-7476
  • 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 V022-7476 available by request