4637-2153 Screening compound: 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-1-cyano-3,3-dimethylthiourea

4637-2153 Screening compound: 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-1-cyano-3,3-dimethylthiourea
4637-2153 Screening compound: 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-1-cyano-3,3-dimethylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4637-2153
1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-1-cyano-3,3-dimethylthiourea

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

4637-2153

Molecular Formula

C11H18N8S (C11 H18 N8 S)

Compound Name

1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-1-cyano-3,3-dimethylthiourea

IUPAC name

1-[46-bis(dimethylamino)-135-triazin-2-yl]-1-cyano-33-dimethylthiourea

SMILES

CN(C)C(N(c1nc(N(C)C)nc(N(C)C)n1)C#N)=S

InChI

InChI=1S/C11H18N8S/c1-16(2)8-13-9(17(3)4)15-10(14-8)19(7-12)11(20)18(5)6/h1-6H3

InChI Key

WPVPSYMJAMHCGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00421518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.236

Distribution Coefficient, logD

1.223

Water Solubility, LogSw

-1.47

Polar Surface Area

48.537

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

4637-2153 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4637-2153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4637-2153?
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What is the minimum amount of 4637-2153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4637-2153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4637-2153
  • 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 4637-2153 available by request