8013-0411 Screening compound: 3-butyl-1-[(2-chloro-4-methoxy-6-methylpyridin-3-yl)sulfonyl]urea

8013-0411 Screening compound: 3-butyl-1-[(2-chloro-4-methoxy-6-methylpyridin-3-yl)sulfonyl]urea
8013-0411 Screening compound: 3-butyl-1-[(2-chloro-4-methoxy-6-methylpyridin-3-yl)sulfonyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0411
3-butyl-1-[(2-chloro-4-methoxy-6-methylpyridin-3-yl)sulfonyl]urea

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

8013-0411

Molecular Formula

C12H18ClN3O4S (C12 H18 ClN3 O4 S)

Compound Name

3-butyl-1-[(2-chloro-4-methoxy-6-methylpyridin-3-yl)sulfonyl]urea

IUPAC name

3-butyl-1-[(2-chloro-4-methoxy-6-methylpyridin-3-yl)sulfonyl]urea

SMILES

CCCCNC(NS(c(c(Cl)nc(C)c1)c1OC)(=O)=O)=O

InChI

InChI=1S/C12H18ClN3O4S/c1-4-5-6-14-12(17)16-21(18,19)10-9(20-3)7-8(2)15-11(10)13/h7H,4-6H2,1-3H3,(H2,14,16,17)

InChI Key

KHTWFVHIFRNMGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.715

Distribution Coefficient, logD

0.197

Water Solubility, LogSw

-2.87

Polar Surface Area

82.404

Acid Dissociation Constant (pKa)

5.90

Base Dissociation Constant (pKb)

-4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8013-0411 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8013-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0411?
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What is the minimum amount of 8013-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0411
  • 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 8013-0411 available by request