V007-6997 Screening compound: 2-{4-[2-(2,4-DIMETHYLPHENYL)-5-{3-[4-(2-METHYLPROPYL)PIPERAZIN-1-YL]-3-OXOPROPYL}-1H-PYRROL-1-YL]PHENYL}ACETONITRILE

V007-6997 Screening compound: 2-{4-[2-(2,4-DIMETHYLPHENYL)-5-{3-[4-(2-METHYLPROPYL)PIPERAZIN-1-YL]-3-OXOPROPYL}-1H-PYRROL-1-YL]PHENYL}ACETONITRILE
V007-6997 Screening compound: 2-{4-[2-(2,4-DIMETHYLPHENYL)-5-{3-[4-(2-METHYLPROPYL)PIPERAZIN-1-YL]-3-OXOPROPYL}-1H-PYRROL-1-YL]PHENYL}ACETONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-6997
2-{4-[2-(2,4-DIMETHYLPHENYL)-5-{3-[4-(2-METHYLPROPYL)PIPERAZIN-1-YL]-3-OXOPROPYL}-1H-PYRROL-1-YL]PHENYL}ACETONITRILE

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

V007-6997

Molecular Formula

C31H38N4O (C31 H38 N4 O)

Compound Name

2-{4-[2-(2,4-DIMETHYLPHENYL)-5-{3-[4-(2-METHYLPROPYL)PIPERAZIN-1-YL]-3-OXOPROPYL}-1H-PYRROL-1-YL]PHENYL}ACETONITRILE

IUPAC name

n/a

SMILES

CC(C)CN(CC1)CCN1C(CCc1ccc(-c2c(C)cc(C)cc2)n1-c1ccc(CC#N)cc1)=O

InChI

InChI=1S/C31H38N4O/c1-23(2)22-33-17-19-34(20-18-33)31(36)14-11-28-10-13-30(29-12-5-24(3)21-25(29)4)35(28)27-8-6-26(7-9-27)15-16-32/h5-10,12-13,21,23H,11,14-15,17-20,22H2,1-4H3

InChI Key

CXYVBKOUHNTAHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.308

Distribution Coefficient, logD

4.968

Water Solubility, LogSw

-5.19

Polar Surface Area

38.820

Acid Dissociation Constant (pKa)

20.46

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

References: we are preparing a list of scientific research reports with V007-6997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-6997?
Check Price and Availability of V007-6997, 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 V007-6997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-6997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-6997
  • 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 V007-6997 available by request