V008-4420 Screening compound: 2-[(4-tert-butylphenyl)methyl]-1-(2-nitrophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

V008-4420 Screening compound: 2-[(4-tert-butylphenyl)methyl]-1-(2-nitrophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine
V008-4420 Screening compound: 2-[(4-tert-butylphenyl)methyl]-1-(2-nitrophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4420
2-[(4-tert-butylphenyl)methyl]-1-(2-nitrophenyl)-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

V008-4420

Molecular Formula

C25H29N3O2 (C25 H29 N3 O2)

Compound Name

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

IUPAC name

2-[(4-tert-butylphenyl)methyl]-1-(2-nitrophenyl)-1H2H3H4H5H-pyrrolo[12-a][14]diazepine

SMILES

CC(C)(C)c1ccc(CN(CCCn2c3ccc2)C3c(cccc2)c2[N+]([O-])=O)cc1

InChI

InChI=1S/C25H29N3O2/c1-25(2,3)20-13-11-19(12-14-20)18-27-17-7-16-26-15-6-10-23(26)24(27)21-8-4-5-9-22(21)28(29)30/h4-6,8-15,24H,7,16-18H2,1-3H3/t24-/m1/s1

InChI Key

KGSRWCMZGHEILF-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19888228

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

403.52

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

6.125

Distribution Coefficient, logD

6.100

Water Solubility, LogSw

-5.61

Polar Surface Area

39.022

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with V008-4420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4420?
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What is the minimum amount of V008-4420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4420
  • 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 V008-4420 available by request