V030-0183 Screening compound: 1-(2-chloro-5-nitrophenyl)-2-[(2-nitrophenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

V030-0183 Screening compound: 1-(2-chloro-5-nitrophenyl)-2-[(2-nitrophenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine
V030-0183 Screening compound: 1-(2-chloro-5-nitrophenyl)-2-[(2-nitrophenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-0183
1-(2-chloro-5-nitrophenyl)-2-[(2-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

V030-0183

Molecular Formula

C21H19ClN4O4 (C21 H19 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)cc(C2N(Cc(cccc3)c3[N+]([O-])=O)CCCn3c2ccc3)c1Cl)=O

InChI

InChI=1S/C21H19ClN4O4/c22-18-9-8-16(25(27)28)13-17(18)21-20-7-3-10-23(20)11-4-12-24(21)14-15-5-1-2-6-19(15)26(29)30/h1-3,5-10,13,21H,4,11-12,14H2/t21-/m1/s1

InChI Key

VDOFVRCAWMXIPF-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19888518

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

426.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.142

Distribution Coefficient, logD

5.142

Water Solubility, LogSw

-5.79

Polar Surface Area

72.404

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

V030-0183 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 V030-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0183?
Check Price and Availability of V030-0183, 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 V030-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0183
  • 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 V030-0183 available by request