C790-0575 Screening compound: 1,3-dimethyl 2,5-diaminobenzene-1,3-dicarboxylate

C790-0575 Screening compound: 1,3-dimethyl 2,5-diaminobenzene-1,3-dicarboxylate
C790-0575 Screening compound: 1,3-dimethyl 2,5-diaminobenzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C790-0575
1,3-dimethyl 2,5-diaminobenzene-1,3-dicarboxylate

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

C790-0575

Molecular Formula

C10H12N2O4 (C10 H12 N2 O4)

Compound Name

1,3-dimethyl 2,5-diaminobenzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 25-diaminobenzene-13-dicarboxylate

SMILES

COC(c1cc(N)cc(C(OC)=O)c1N)=O

InChI

InChI=1S/C10H12N2O4/c1-15-9(13)6-3-5(11)4-7(8(6)12)10(14)16-2/h3-4H,11-12H2,1-2H3

InChI Key

HKDMIMWFDFCVBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.297

Distribution Coefficient, logD

1.297

Water Solubility, LogSw

-1.47

Polar Surface Area

82.778

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C790-0575 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 C790-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C790-0575?
Check Price and Availability of C790-0575, 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 C790-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C790-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C790-0575
  • 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 C790-0575 available by request