2650-9165 Screening compound: 2-[(E)-[(dimethylamino)methylidene]amino]-N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide

2650-9165 Screening compound: 2-[(E)-[(dimethylamino)methylidene]amino]-N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
2650-9165 Screening compound: 2-[(E)-[(dimethylamino)methylidene]amino]-N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2650-9165
2-[(E)-[(dimethylamino)methylidene]amino]-N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)-4-(4-nitrophenyl)-1,3-thiazole-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

2650-9165

Molecular Formula

C22H23N7O5S2 (C22 H23 N7 O5 S2)

Compound Name

2-[(E)-[(dimethylamino)methylidene]amino]-N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide

IUPAC name

2-[(E)-[(dimethylamino)methylidene]amino]-N-(4-{[(E)-[(dimethylamino)methylidene]amino]sulfonyl}phenyl)-4-(4-nitrophenyl)-13-thiazole-5-carboxamide

SMILES

CN(C)/C=N/c1nc(-c(cc2)ccc2[N+]([O-])=O)c(C(Nc(cc2)ccc2S(/N=C/N(C)C)(=O)=O)=O)s1

InChI

InChI=1S/C22H23N7O5S2/c1-27(2)13-23-22-26-19(15-5-9-17(10-6-15)29(31)32)20(35-22)21(30)25-16-7-11-18(12-8-16)36(33,34)24-14-28(3)4/h5-14H,1-4H3,(H,25,30)

InChI Key

USMJGJVBWXYJPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01911493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.199

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-2.97

Polar Surface Area

118.321

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

2650-9165 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 2650-9165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2650-9165?
Check Price and Availability of 2650-9165, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2650-9165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2650-9165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2650-9165
  • 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 2650-9165 available by request