1630-0935 Screening compound: 2-phenylethyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1630-0935 Screening compound: 2-phenylethyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1630-0935 Screening compound: 2-phenylethyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0935
2-phenylethyl 4-[4-(dimethylamino)phenyl]-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

1630-0935

Molecular Formula

C22H25N3O2S (C22 H25 N3 O2 S)

Compound Name

2-phenylethyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-phenylethyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c(cc2)ccc2N(C)C)=S)=C1C(OCCc1ccccc1)=O

InChI

InChI=1S/C22H25N3O2S/c1-15-19(21(26)27-14-13-16-7-5-4-6-8-16)20(24-22(28)23-15)17-9-11-18(12-10-17)25(2)3/h4-12,20H,13-14H2,1-3H3,(H2,23,24,28)/t20-/m1/s1

InChI Key

DMUGZXIRIYRJSM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD00619571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.873

Water Solubility, LogSw

-4.03

Polar Surface Area

46.255

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

1630-0935 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1630-0935 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1630-0935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0935
  • 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 1630-0935 available by request