4681-3797 Screening compound: 4-(3-bromo-4-methoxyphenyl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

4681-3797 Screening compound: 4-(3-bromo-4-methoxyphenyl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
4681-3797 Screening compound: 4-(3-bromo-4-methoxyphenyl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4681-3797
4-(3-bromo-4-methoxyphenyl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

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

4681-3797

Molecular Formula

C14H16BrN3O2S (C14 H16 BrN3 O2 S)

Compound Name

4-(3-bromo-4-methoxyphenyl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

4-(3-bromo-4-methoxyphenyl)-N6-dimethyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c(cc2)cc(Br)c2OC)=S)=C1C(NC)=O

InChI

InChI=1S/C14H16BrN3O2S/c1-7-11(13(19)16-2)12(18-14(21)17-7)8-4-5-10(20-3)9(15)6-8/h4-6,12H,1-3H3,(H,16,19)(H2,17,18,21)/t12-/m0/s1

InChI Key

IGFDXHJKKGZMQW-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03083448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.597

Distribution Coefficient, logD

1.596

Water Solubility, LogSw

-2.27

Polar Surface Area

55.140

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

4681-3797 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4681-3797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4681-3797?
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What is the minimum amount of 4681-3797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4681-3797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4681-3797
  • 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 4681-3797 available by request