1127-1200 Screening compound: 4-(5-nitro-1H-1,3-benzodiazol-2-yl)butan-2-yl 4-nitrobenzoate

1127-1200 Screening compound: 4-(5-nitro-1H-1,3-benzodiazol-2-yl)butan-2-yl 4-nitrobenzoate
1127-1200 Screening compound: 4-(5-nitro-1H-1,3-benzodiazol-2-yl)butan-2-yl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1127-1200
4-(5-nitro-1H-1,3-benzodiazol-2-yl)butan-2-yl 4-nitrobenzoate

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

1127-1200

Molecular Formula

C18H16N4O6 (C18 H16 N4 O6)

Compound Name

4-(5-nitro-1H-1,3-benzodiazol-2-yl)butan-2-yl 4-nitrobenzoate

IUPAC name

4-(5-nitro-1H-13-benzodiazol-2-yl)butan-2-yl 4-nitrobenzoate

SMILES

CC(CCc1nc(cc(cc2)[N+]([O-])=O)c2[nH]1)OC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C18H16N4O6/c1-11(28-18(23)12-3-5-13(6-4-12)21(24)25)2-9-17-19-15-8-7-14(22(26)27)10-16(15)20-17/h3-8,10-11H,2,9H2,1H3,(H,19,20)/t11-/m0/s1

InChI Key

BZILKXAEWKETKK-NSHDSACASA-N

MDL Number (MFCD)

MFCD00689574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.35

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.264

Distribution Coefficient, logD

4.250

Water Solubility, LogSw

-4.34

Polar Surface Area

107.327

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

1127-1200 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1127-1200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1127-1200?
Check Price and Availability of 1127-1200, 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 1127-1200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1127-1200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1127-1200
  • 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 1127-1200 available by request