V002-8546 Screening compound: methyl 4-[3-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V002-8546 Screening compound: methyl 4-[3-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V002-8546 Screening compound: methyl 4-[3-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8546
methyl 4-[3-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-6-methyl-2-oxo-1-propyl-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

V002-8546

Molecular Formula

C25H24F6N4O4 (C25 H24 F6 N4 O4)

Compound Name

methyl 4-[3-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 4-[3-({[35-bis(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-6-methyl-2-oxo-1-propyl-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCN(C(C)=C(C(c1cccc(NC(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=O)c1)N1)C(OC)=O)C1=O

InChI

InChI=1S/C25H24F6N4O4/c1-4-8-35-13(2)19(21(36)39-3)20(34-23(35)38)14-6-5-7-17(9-14)32-22(37)33-18-11-15(24(26,27)28)10-16(12-18)25(29,30)31/h5-7,9-12,20H,4,8H2,1-3H3,(H,34,38)(H2,32,33,37)/t20-/m0/s1

InChI Key

YOYACJMGBORPDI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14241476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.48

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

6.441

Distribution Coefficient, logD

6.438

Water Solubility, LogSw

-5.73

Polar Surface Area

81.365

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V002-8546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8546?
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What is the minimum amount of V002-8546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8546
  • 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 V002-8546 available by request