V027-1745 Screening compound: 2-methoxyethyl 4-(3-cyclopropaneamidophenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V027-1745 Screening compound: 2-methoxyethyl 4-(3-cyclopropaneamidophenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V027-1745 Screening compound: 2-methoxyethyl 4-(3-cyclopropaneamidophenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-1745
2-methoxyethyl 4-(3-cyclopropaneamidophenyl)-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

V027-1745

Molecular Formula

C21H27N3O4S (C21 H27 N3 O4 S)

Compound Name

2-methoxyethyl 4-(3-cyclopropaneamidophenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-methoxyethyl 4-(3-cyclopropaneamidophenyl)-1-ethyl-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(C)=C(C(c1cc(NC(C2CC2)=O)ccc1)N1)C(OCCOC)=O)C1=S

InChI

InChI=1S/C21H27N3O4S/c1-4-24-13(2)17(20(26)28-11-10-27-3)18(23-21(24)29)15-6-5-7-16(12-15)22-19(25)14-8-9-14/h5-7,12,14,18H,4,8-11H2,1-3H3,(H,22,25)(H,23,29)/t18-/m1/s1

InChI Key

XJXFVPVSEOLNEE-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19726248

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.297

Distribution Coefficient, logD

2.296

Water Solubility, LogSw

-2.93

Polar Surface Area

67.476

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with V027-1745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-1745?
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What is the minimum amount of V027-1745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-1745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-1745
  • 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 V027-1745 available by request