V006-6677 Screening compound: 1-(4-{5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl}-1,4-diazepan-1-yl)-2,2-diphenylethan-1-one

V006-6677 Screening compound: 1-(4-{5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl}-1,4-diazepan-1-yl)-2,2-diphenylethan-1-one
V006-6677 Screening compound: 1-(4-{5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl}-1,4-diazepan-1-yl)-2,2-diphenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-6677
1-(4-{5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl}-1,4-diazepan-1-yl)-2,2-diphenylethan-1-one

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

V006-6677

Molecular Formula

C37H35ClN4O (C37 H35 ClN4 O)

Compound Name

1-(4-{5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl}-1,4-diazepan-1-yl)-2,2-diphenylethan-1-one

IUPAC name

1-(4-{5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl}-14-diazepan-1-yl)-22-diphenylethan-1-one

SMILES

Cc1nc(-c2ccccc2)nc(N(CCC2)CCN2C(C(c2ccccc2)c2ccccc2)=O)c1Cc(cc1)ccc1Cl

InChI

InChI=1S/C37H35ClN4O/c1-27-33(26-28-18-20-32(38)21-19-28)36(40-35(39-27)31-16-9-4-10-17-31)41-22-11-23-42(25-24-41)37(43)34(29-12-5-2-6-13-29)30-14-7-3-8-15-30/h2-10,12-21,34H,11,22-26H2,1H3

InChI Key

LOSRILNXRWWFKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19739610

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

587.16

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.914

Distribution Coefficient, logD

8.839

Water Solubility, LogSw

-6.61

Polar Surface Area

38.744

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.60

V006-6677 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V006-6677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6677?
Check Price and Availability of V006-6677, 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 V006-6677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6677
  • 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 V006-6677 available by request