V015-3578 Screening compound: 4-chloro-2-{[1-(2-chloro-5-nitrophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}phenol

V015-3578 Screening compound: 4-chloro-2-{[1-(2-chloro-5-nitrophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}phenol
V015-3578 Screening compound: 4-chloro-2-{[1-(2-chloro-5-nitrophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-3578
4-chloro-2-{[1-(2-chloro-5-nitrophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}phenol

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

V015-3578

Molecular Formula

C21H19Cl2N3O3 (C21 H19 Cl2 N3 O3)

Compound Name

4-chloro-2-{[1-(2-chloro-5-nitrophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}phenol

IUPAC name

4-chloro-2-{[1-(2-chloro-5-nitrophenyl)-1H2H3H4H5H-pyrrolo[12-a][14]diazepin-2-yl]methyl}phenol

SMILES

[O-][N+](c(cc1)cc(C2N(Cc(cc(cc3)Cl)c3O)CCCn3c2ccc3)c1Cl)=O

InChI

InChI=1S/C21H19Cl2N3O3/c22-15-4-7-20(27)14(11-15)13-25-10-2-9-24-8-1-3-19(24)21(25)17-12-16(26(28)29)5-6-18(17)23/h1,3-8,11-12,21,27H,2,9-10,13H2/t21-/m1/s1

InChI Key

UGUCCAKTMTZTMG-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19888529

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

432.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.389

Distribution Coefficient, logD

5.388

Water Solubility, LogSw

-5.68

Polar Surface Area

55.871

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

V015-3578 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 V015-3578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-3578?
Check Price and Availability of V015-3578, 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 V015-3578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-3578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-3578
  • 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 V015-3578 available by request