V008-8968 Screening compound: ethyl 6-[(2,5-dichlorophenoxy)methyl]-1-ethyl-4-(4-isopropylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

V008-8968 Screening compound: ethyl 6-[(2,5-dichlorophenoxy)methyl]-1-ethyl-4-(4-isopropylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
V008-8968 Screening compound: ethyl 6-[(2,5-dichlorophenoxy)methyl]-1-ethyl-4-(4-isopropylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-8968
ethyl 6-[(2,5-dichlorophenoxy)methyl]-1-ethyl-4-(4-isopropylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

V008-8968

Molecular Formula

C25H28Cl2N2O4 (C25 H28 Cl2 N2 O4)

Compound Name

ethyl 6-[(2,5-dichlorophenoxy)methyl]-1-ethyl-4-(4-isopropylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 6-[(25-dichlorophenoxy)methyl]-1-ethyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(COc(cc(cc1)Cl)c1Cl)=C(C(c1ccc(C(C)C)cc1)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C25H28Cl2N2O4/c1-5-29-20(14-33-21-13-18(26)11-12-19(21)27)22(24(30)32-6-2)23(28-25(29)31)17-9-7-16(8-10-17)15(3)4/h7-13,15,23H,5-6,14H2,1-4H3,(H,28,31)/t23-/m1/s1

InChI Key

HXQMWWHKXYWCTA-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19832741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.658

Distribution Coefficient, logD

6.656

Water Solubility, LogSw

-6.47

Polar Surface Area

56.063

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-4.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with V008-8968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-8968?
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What is the minimum amount of V008-8968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8968
  • 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 V008-8968 available by request