V001-6101 Screening compound: propan-2-yl 1-butyl-4-(3-{[(3,4-dichlorophenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V001-6101 Screening compound: propan-2-yl 1-butyl-4-(3-{[(3,4-dichlorophenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V001-6101 Screening compound: propan-2-yl 1-butyl-4-(3-{[(3,4-dichlorophenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6101
propan-2-yl 1-butyl-4-(3-{[(3,4-dichlorophenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

V001-6101

Molecular Formula

C26H30Cl2N4O4 (C26 H30 Cl2 N4 O4)

Compound Name

propan-2-yl 1-butyl-4-(3-{[(3,4-dichlorophenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

propan-2-yl 1-butyl-4-(3-{[(34-dichlorophenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCCN(C(C)=C(C(c1cccc(NC(Nc(cc2)cc(Cl)c2Cl)=O)c1)N1)C(OC(C)C)=O)C1=O

InChI

InChI=1S/C26H30Cl2N4O4/c1-5-6-12-32-16(4)22(24(33)36-15(2)3)23(31-26(32)35)17-8-7-9-18(13-17)29-25(34)30-19-10-11-20(27)21(28)14-19/h7-11,13-15,23H,5-6,12H2,1-4H3,(H,31,35)(H2,29,30,34)/t23-/m0/s1

InChI Key

SMLLLNJEYIBBJH-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14240033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.157

Distribution Coefficient, logD

7.156

Water Solubility, LogSw

-6.39

Polar Surface Area

80.623

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with V001-6101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6101?
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What is the minimum amount of V001-6101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6101
  • 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 V001-6101 available by request