V031-2743 Screening compound: 2-[(2-chloro-5-nitrophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

V031-2743 Screening compound: 2-[(2-chloro-5-nitrophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine
V031-2743 Screening compound: 2-[(2-chloro-5-nitrophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2743
2-[(2-chloro-5-nitrophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-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

V031-2743

Molecular Formula

C22H19ClF3N3O2 (C22 H19 ClF3 N3 O2)

Compound Name

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

IUPAC name

2-[(2-chloro-5-nitrophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H2H3H4H5H-pyrrolo[12-a][14]diazepine

SMILES

[O-][N+](c(cc1)cc(CN(CCCn2c3ccc2)C3c2cc(C(F)(F)F)ccc2)c1Cl)=O

InChI

InChI=1S/C22H19ClF3N3O2/c23-19-8-7-18(29(30)31)13-16(19)14-28-11-3-10-27-9-2-6-20(27)21(28)15-4-1-5-17(12-15)22(24,25)26/h1-2,4-9,12-13,21H,3,10-11,14H2/t21-/m1/s1

InChI Key

HXPOZHNLGVTQPT-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19893040

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

449.86

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

5.902

Distribution Coefficient, logD

5.902

Water Solubility, LogSw

-6.44

Polar Surface Area

39.323

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

V031-2743 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 V031-2743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2743?
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What is the minimum amount of V031-2743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2743
  • 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 V031-2743 available by request