3772-3893 Screening compound: (Z)-N-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine

3772-3893 Screening compound: (Z)-N-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine
3772-3893 Screening compound: (Z)-N-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-3893
(Z)-N-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine

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

3772-3893

Molecular Formula

C20H20BrN5O2S (C20 H20 BrN5 O2 S)

Compound Name

(Z)-N-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine

IUPAC name

(Z)-N-(4-bromophenyl)-N'-(46-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine

SMILES

Cc(cc1)ccc1S(/N=C(/Nc(cc1)ccc1Br)\Nc1nc(C)cc(C)n1)(=O)=O

InChI

InChI=1S/C20H20BrN5O2S/c1-13-4-10-18(11-5-13)29(27,28)26-20(24-17-8-6-16(21)7-9-17)25-19-22-14(2)12-15(3)23-19/h4-12H,1-3H3,(H2,22,23,24,25,26)

InChI Key

MOZGZSLFLLWNEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01946195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.822

Distribution Coefficient, logD

4.821

Water Solubility, LogSw

-4.64

Polar Surface Area

77.149

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3772-3893 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3772-3893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-3893?
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What is the minimum amount of 3772-3893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-3893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-3893
  • 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 3772-3893 available by request