V026-1743 Screening compound: methyl 4-(4-{[(2,6-dichlorophenyl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V026-1743 Screening compound: methyl 4-(4-{[(2,6-dichlorophenyl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V026-1743 Screening compound: methyl 4-(4-{[(2,6-dichlorophenyl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-1743
methyl 4-(4-{[(2,6-dichlorophenyl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-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

V026-1743

Molecular Formula

C22H22Cl2N4O3S (C22 H22 Cl2 N4 O3 S)

Compound Name

methyl 4-(4-{[(2,6-dichlorophenyl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 4-(4-{[(26-dichlorophenyl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(C)=C(C(c(cc1)ccc1NC(Nc(c(Cl)ccc1)c1Cl)=O)N1)C(OC)=O)C1=S

InChI

InChI=1S/C22H22Cl2N4O3S/c1-4-28-12(2)17(20(29)31-3)18(27-22(28)32)13-8-10-14(11-9-13)25-21(30)26-19-15(23)6-5-7-16(19)24/h5-11,18H,4H2,1-3H3,(H,27,32)(H2,25,26,30)/t18-/m0/s1

InChI Key

NWSYIQVGCWBVSG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19726561

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.41

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

5.124

Distribution Coefficient, logD

5.123

Water Solubility, LogSw

-5.67

Polar Surface Area

66.553

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with V026-1743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-1743?
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What is the minimum amount of V026-1743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-1743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-1743
  • 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 V026-1743 available by request