G869-1214 Screening compound: 5-bromo-N-(4-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-ethoxybenzene-1-sulfonamide

G869-1214 Screening compound: 5-bromo-N-(4-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-ethoxybenzene-1-sulfonamide
G869-1214 Screening compound: 5-bromo-N-(4-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-ethoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G869-1214
5-bromo-N-(4-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-ethoxybenzene-1-sulfonamide

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

G869-1214

Molecular Formula

C21H24BrN5O3S (C21 H24 BrN5 O3 S)

Compound Name

5-bromo-N-(4-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-ethoxybenzene-1-sulfonamide

IUPAC name

5-bromo-N-(4-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-ethoxybenzene-1-sulfonamide

SMILES

CCOc(ccc(Br)c1)c1S(Nc(cc1)ccc1Nc1nc(N(C)C)cc(C)n1)(=O)=O

InChI

InChI=1S/C21H24BrN5O3S/c1-5-30-18-11-6-15(22)13-19(18)31(28,29)26-17-9-7-16(8-10-17)24-21-23-14(2)12-20(25-21)27(3)4/h6-13,26H,5H2,1-4H3,(H,23,24,25)

InChI Key

BTEPRFFLSMPQOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.080

Distribution Coefficient, logD

3.744

Water Solubility, LogSw

-4.93

Polar Surface Area

78.791

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G869-1214 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G869-1214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G869-1214?
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What is the minimum amount of G869-1214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G869-1214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G869-1214
  • 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 G869-1214 available by request