V001-6413 Screening compound: propan-2-yl 4-[4-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V001-6413 Screening compound: propan-2-yl 4-[4-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V001-6413 Screening compound: propan-2-yl 4-[4-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6413
propan-2-yl 4-[4-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1,6-dimethyl-2-sulfanylidene-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

V001-6413

Molecular Formula

C25H24F6N4O3S (C25 H24 F6 N4 O3 S)

Compound Name

propan-2-yl 4-[4-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

propan-2-yl 4-[4-({[35-bis(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-16-dimethyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)OC(C(C(c(cc1)ccc1NC(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O)N1)=C(C)N(C)C1=S)=O

InChI

InChI=1S/C25H24F6N4O3S/c1-12(2)38-21(36)19-13(3)35(4)23(39)34-20(19)14-5-7-17(8-6-14)32-22(37)33-18-10-15(24(26,27)28)9-16(11-18)25(29,30)31/h5-12,20H,1-4H3,(H,34,39)(H2,32,33,37)/t20-/m1/s1

InChI Key

WYNVNSMCQNKUKE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14243119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.494

Distribution Coefficient, logD

6.478

Water Solubility, LogSw

-5.72

Polar Surface Area

67.248

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V001-6413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6413?
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What is the minimum amount of V001-6413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6413
  • 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 V001-6413 available by request