V015-0602 Screening compound: 1-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-4-(naphthalene-2-sulfonyl)-1,4-diazepane

V015-0602 Screening compound: 1-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-4-(naphthalene-2-sulfonyl)-1,4-diazepane
V015-0602 Screening compound: 1-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-4-(naphthalene-2-sulfonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-0602
1-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-4-(naphthalene-2-sulfonyl)-1,4-diazepane

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

V015-0602

Molecular Formula

C30H34N4O2S (C30 H34 N4 O2 S)

Compound Name

1-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-4-(naphthalene-2-sulfonyl)-1,4-diazepane

IUPAC name

1-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-4-(naphthalene-2-sulfonyl)-14-diazepane

SMILES

CCc1c(Cc2ccc(C)cc2)c(N(CCC2)CCN2S(c2cc3ccccc3cc2)(=O)=O)nc(C)n1

InChI

InChI=1S/C30H34N4O2S/c1-4-29-28(20-24-12-10-22(2)11-13-24)30(32-23(3)31-29)33-16-7-17-34(19-18-33)37(35,36)27-15-14-25-8-5-6-9-26(25)21-27/h5-6,8-15,21H,4,7,16-20H2,1-3H3

InChI Key

QAEBNUGFEPRWDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19745517

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

514.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.666

Distribution Coefficient, logD

6.556

Water Solubility, LogSw

-6.55

Polar Surface Area

54.380

Acid Dissociation Constant (pKa)

21.42

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V015-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-0602?
Check Price and Availability of V015-0602, 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 V015-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-0602
  • 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 V015-0602 available by request