V018-3942 Screening compound: propan-2-yl 1,6-dimethyl-4-{3-[(phenylcarbamoyl)amino]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V018-3942 Screening compound: propan-2-yl 1,6-dimethyl-4-{3-[(phenylcarbamoyl)amino]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V018-3942 Screening compound: propan-2-yl 1,6-dimethyl-4-{3-[(phenylcarbamoyl)amino]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3942
propan-2-yl 1,6-dimethyl-4-{3-[(phenylcarbamoyl)amino]phenyl}-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

V018-3942

Molecular Formula

C23H26N4O3S (C23 H26 N4 O3 S)

Compound Name

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

IUPAC name

propan-2-yl 16-dimethyl-4-{3-[(phenylcarbamoyl)amino]phenyl}-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)OC(C(C(c1cc(NC(Nc2ccccc2)=O)ccc1)N1)=C(C)N(C)C1=S)=O

InChI

InChI=1S/C23H26N4O3S/c1-14(2)30-21(28)19-15(3)27(4)23(31)26-20(19)16-9-8-12-18(13-16)25-22(29)24-17-10-6-5-7-11-17/h5-14,20H,1-4H3,(H,26,31)(H2,24,25,29)/t20-/m1/s1

InChI Key

PWKWTYPYAQILNO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19731257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.404

Distribution Coefficient, logD

4.404

Water Solubility, LogSw

-4.29

Polar Surface Area

67.248

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

V018-3942 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V018-3942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3942?
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What is the minimum amount of V018-3942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3942
  • 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 V018-3942 available by request