V009-4990 Screening compound: 2-methoxy-6-{[1-(3-nitrophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}phenol

V009-4990 Screening compound: 2-methoxy-6-{[1-(3-nitrophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}phenol
V009-4990 Screening compound: 2-methoxy-6-{[1-(3-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 V009-4990
2-methoxy-6-{[1-(3-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

V009-4990

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

2-methoxy-6-{[1-(3-nitrophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}phenol

IUPAC name

2-methoxy-6-{[1-(3-nitrophenyl)-1H2H3H4H5H-pyrrolo[12-a][14]diazepin-2-yl]methyl}phenol

SMILES

COc1cccc(CN(CCCn2c3ccc2)C3c2cccc([N+]([O-])=O)c2)c1O

InChI

InChI=1S/C22H23N3O4/c1-29-20-10-3-7-17(22(20)26)15-24-13-5-12-23-11-4-9-19(23)21(24)16-6-2-8-18(14-16)25(27)28/h2-4,6-11,14,21,26H,5,12-13,15H2,1H3/t21-/m1/s1

InChI Key

SFTYWZCLBVSTNK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19888010

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.267

Distribution Coefficient, logD

4.216

Water Solubility, LogSw

-4.20

Polar Surface Area

62.433

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V009-4990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4990?
Check Price and Availability of V009-4990, 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 V009-4990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4990
  • 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 V009-4990 available by request