V019-6632 Screening compound: 2-(2-chloro-5-nitrobenzyl)-1-(4-ethylphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine

V019-6632 Screening compound: 2-(2-chloro-5-nitrobenzyl)-1-(4-ethylphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
V019-6632 Screening compound: 2-(2-chloro-5-nitrobenzyl)-1-(4-ethylphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-6632
2-(2-chloro-5-nitrobenzyl)-1-(4-ethylphenyl)-2,3,4,5-tetrahydro-1H-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

V019-6632

Molecular Formula

C23H24ClN3O2 (C23 H24 ClN3 O2)

Compound Name

2-(2-chloro-5-nitrobenzyl)-1-(4-ethylphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine

IUPAC name

2-[(2-chloro-5-nitrophenyl)methyl]-1-(4-ethylphenyl)-1H2H3H4H5H-pyrrolo[12-a][14]diazepine

SMILES

CCc1ccc(C2N(Cc(cc(cc3)[N+]([O-])=O)c3Cl)CCCn3c2ccc3)cc1

InChI

InChI=1S/C23H24ClN3O2/c1-2-17-6-8-18(9-7-17)23-22-5-3-12-25(22)13-4-14-26(23)16-19-15-20(27(28)29)10-11-21(19)24/h3,5-12,15,23H,2,4,13-14,16H2,1H3/t23-/m1/s1

InChI Key

RNBZPXUFPFABGR-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19888356

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

409.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.933

Distribution Coefficient, logD

5.929

Water Solubility, LogSw

-6.34

Polar Surface Area

39.323

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

V019-6632 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V019-6632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-6632?
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What is the minimum amount of V019-6632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-6632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-6632
  • 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 V019-6632 available by request