V013-2107 Screening compound: N~1~-(2,4-dichlorophenyl)-4-(5-isopropyl-6-methyl-2-phenyl-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide

V013-2107 Screening compound: N~1~-(2,4-dichlorophenyl)-4-(5-isopropyl-6-methyl-2-phenyl-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide
V013-2107 Screening compound: N~1~-(2,4-dichlorophenyl)-4-(5-isopropyl-6-methyl-2-phenyl-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-2107
N~1~-(2,4-dichlorophenyl)-4-(5-isopropyl-6-methyl-2-phenyl-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide

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

V013-2107

Molecular Formula

C25H27Cl2N5O (C25 H27 Cl2 N5 O)

Compound Name

N~1~-(2,4-dichlorophenyl)-4-(5-isopropyl-6-methyl-2-phenyl-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-(24-dichlorophenyl)-4-[6-methyl-2-phenyl-5-(propan-2-yl)pyrimidin-4-yl]piperazine-1-carboxamide

SMILES

CC(C)c1c(C)nc(-c2ccccc2)nc1N(CC1)CCN1C(Nc(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C25H27Cl2N5O/c1-16(2)22-17(3)28-23(18-7-5-4-6-8-18)30-24(22)31-11-13-32(14-12-31)25(33)29-21-10-9-19(26)15-20(21)27/h4-10,15-16H,11-14H2,1-3H3,(H,29,33)

InChI Key

LOLPNBULAAYOAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14245536

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.259

Distribution Coefficient, logD

7.165

Water Solubility, LogSw

-6.31

Polar Surface Area

47.080

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V013-2107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-2107?
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What is the minimum amount of V013-2107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-2107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-2107
  • 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 V013-2107 available by request